3-glycerophosphate (C3H9O6P)

Structural Information

Molecular Formula

C₃H₉O₆P

SMILES

C(C(COP(=O)(O)O)O)O

InChI

InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)

InChIKey

AWUCVROLDVIAJX-UHFFFAOYSA-N

Compound name

2,3-dihydroxypropyl dihydrogen phosphate

Related CIDs

CID 754
CID 14754
CID 80278
CID 102100
CID 109326
CID 120096
CID 172032
CID 439162
CID 439276
CID 3034689
CID 3707990
CID 7048685
CID 7048686
CID 10012877
CID 11579475
CID 14208876
CID 23672316
CID 71607255
CID 171395209
CID 172005717

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]+	173.020946	135.2
[M+Na]+	195.002888	141.5
[M-H]-	171.006394	129.1
[M+NH4]+	190.047493	153.0
[M+K]+	210.976828	141.4
[M+H-H2O]+	155.010930	129.2
[M+HCOO]-	217.011871	157.9
[M+CH3COO]-	231.027521	167.5
[M+Na-2H]-	192.988336	137.9
[M]+	172.01312142	136.0
[M]-	172.01421858	136.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

173.020946

135.2

[M+Na]+

195.002888

141.5

[M-H]-

171.006394

129.1

[M+NH4]+

190.047493

153.0

[M+K]+

210.976828

141.4

[M+H-H2O]+

155.010930

129.2

[M+HCOO]-

217.011871

157.9

[M+CH3COO]-

231.027521

167.5

[M+Na-2H]-

192.988336

137.9

[M]+

172.01312142

136.0

[M]-

172.01421858

136.0

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

3-glycerophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe