CID 2526

Beta-glycerophosphate

Structural Information

Molecular Formula
C3H9O6P
SMILES
C(C(CO)OP(=O)(O)O)O
InChI
InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
InChIKey
DHCLVCXQIBBOPH-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1245
References

52013
Patents

172.01367 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02095 135.2
[M+Na]+ 195.00289 141.5
[M-H]- 171.00639 129.1
[M+NH4]+ 190.04749 153.0
[M+K]+ 210.97683 141.4
[M+H-H2O]+ 155.01093 129.2
[M+HCOO]- 217.01187 157.9
[M+CH3COO]- 231.02752 167.5
[M+Na-2H]- 192.98834 137.9
[M]+ 172.01312 136.0
[M]- 172.01422 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe