PubChemLite - 2-o-(6-phospho-alpha-mannosyl)-d-glycerate (C9H17O12P)

Structural Information

Molecular Formula

SMILES

C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)OP(=O)(O)O

InChI

InChI=1S/C9H17O12P/c10-1-3(8(14)15)20-9-7(13)6(12)5(11)4(21-9)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7+,9+/m1/s1

InChIKey

BOLXAGHGKNGVBE-MTXRGOKVSA-N

Compound name

(2R)-3-hydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxypropanoic 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]+	349.05306	167.7
[M+Na]+	371.03500	170.0
[M-H]-	347.03850	160.8
[M+NH4]+	366.07960	174.4
[M+K]+	387.00894	172.3
[M+H-H2O]+	331.04304	159.8
[M+HCOO]-	393.04398	180.2
[M+CH3COO]-	407.05963	197.8
[M+Na-2H]-	369.02045	165.6
[M]+	348.04523	167.9
[M]-	348.04633	167.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

349.05306

167.7

[M+Na]+

371.03500

170.0

[M-H]-

347.03850

160.8

[M+NH4]+

366.07960

174.4

[M+K]+

387.00894

172.3

[M+H-H2O]+

331.04304

159.8

[M+HCOO]-

393.04398

180.2

[M+CH3COO]-

407.05963

197.8

[M+Na-2H]-

369.02045

165.6

[M]+

348.04523

167.9

[M]-

348.04633

167.9

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

2-o-(6-phospho-alpha-mannosyl)-d-glycerate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe