PubChemLite - 6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranose (C12H22O10)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O

InChI

InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12+/m0/s1

InChIKey

OVVGHDNPYGTYIT-BNXXONSGSA-N

Compound name

(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

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]+	327.12858	170.9
[M+Na]+	349.11052	176.4
[M+NH4]+	344.15512	172.7
[M+K]+	365.08446	178.2
[M-H]-	325.11402	170.1
[M+Na-2H]-	347.09597	166.3
[M]+	326.12075	170.6
[M]-	326.12185	170.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

327.12858

170.9

[M+Na]+

349.11052

176.4

[M+NH4]+

344.15512

172.7

[M+K]+

365.08446

178.2

[M-H]-

325.11402

170.1

[M+Na-2H]-

347.09597

166.3

[M]+

326.12075

170.6

[M]-

326.12185

170.6

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

6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe