PubChemLite - D-glycero-d-mannopyranose-7-phosphate (C7H15O10P)

Structural Information

Molecular Formula

C₇H₁₅O₁₀P

SMILES

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

InChI

InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7+/m1/s1

InChIKey

SDADNVAZGVDAIM-QTNLNCNHSA-N

Compound name

[(2R)-2-hydroxy-2-[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl] dihydrogen phosphate

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]+	291.04756	158.8
[M+Na]+	313.02950	162.7
[M-H]-	289.03300	152.4
[M+NH4]+	308.07410	168.4
[M+K]+	329.00344	163.5
[M+H-H2O]+	273.03754	151.7
[M+HCOO]-	335.03848	172.4
[M+CH3COO]-	349.05413	186.2
[M+Na-2H]-	311.01495	157.7
[M]+	290.03973	156.8
[M]-	290.04083	156.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

291.04756

158.8

[M+Na]+

313.02950

162.7

[M-H]-

289.03300

152.4

[M+NH4]+

308.07410

168.4

[M+K]+

329.00344

163.5

[M+H-H2O]+

273.03754

151.7

[M+HCOO]-

335.03848

172.4

[M+CH3COO]-

349.05413

186.2

[M+Na-2H]-

311.01495

157.7

[M]+

290.03973

156.8

[M]-

290.04083

156.8

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

D-glycero-d-mannopyranose-7-phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe