PubChemLite - Chondroitin (C14H21NO11)

Structural Information

Molecular Formula

SMILES

CC(=O)N[C@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)OC2[C@@H]([C@@H](C=C(O2)C(=O)O)O)O

InChI

InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7-,8+,9-,10+,11-,13-,14?/m1/s1

InChIKey

DLGJWSVWTWEWBJ-HGGSSLSASA-N

Compound name

(3R,4R)-2-[(2R,3S,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	380.11873	182.0
[M+Na]+	402.10067	184.6
[M-H]-	378.10417	181.9
[M+NH4]+	397.14527	186.5
[M+K]+	418.07461	186.5
[M+H-H2O]+	362.10871	174.7
[M+HCOO]-	424.10965	189.3
[M+CH3COO]-	438.12530	212.5
[M+Na-2H]-	400.08612	178.9
[M]+	379.11090	180.1
[M]-	379.11200	180.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

380.11873

182.0

[M+Na]+

402.10067

184.6

[M-H]-

378.10417

181.9

[M+NH4]+

397.14527

186.5

[M+K]+

418.07461

186.5

[M+H-H2O]+

362.10871

174.7

[M+HCOO]-

424.10965

189.3

[M+CH3COO]-

438.12530

212.5

[M+Na-2H]-

400.08612

178.9

[M]+

379.11090

180.1

[M]-

379.11200

180.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Chondroitin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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