PubChemLite - Uncinoside a (C18H22O9)

Structural Information

Molecular Formula

SMILES

CC1=CC(=O)C2=C(O1)C(=C(C(=C2O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C

InChI

InChI=1S/C18H22O9/c1-6-4-9(20)11-12(21)7(2)16(8(3)17(11)25-6)27-18-15(24)14(23)13(22)10(5-19)26-18/h4,10,13-15,18-19,21-24H,5H2,1-3H3/t10-,13-,14+,15-,18+/m1/s1

InChIKey

SYRSLDAOMRWYGP-MLTZOPNTSA-N

Compound name

5-hydroxy-2,6,8-trimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

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]+	383.13365	187.1
[M+Na]+	405.11559	198.5
[M+NH4]+	400.16019	190.5
[M+K]+	421.08953	196.8
[M-H]-	381.11909	189.7
[M+Na-2H]-	403.10104	186.0
[M]+	382.12582	189.1
[M]-	382.12692	189.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.13365

187.1

[M+Na]+

405.11559

198.5

[M+NH4]+

400.16019

190.5

[M+K]+

421.08953

196.8

[M-H]-

381.11909

189.7

[M+Na-2H]-

403.10104

186.0

[M]+

382.12582

189.1

[M]-

382.12692

189.1

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

Uncinoside a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe