CID 724

3-phosphoglycerate

Structural Information

Molecular Formula
C3H7O7P
SMILES
C(C(C(=O)O)O)OP(=O)(O)O
InChI
InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)
InChIKey
OSJPPGNTCRNQQC-UHFFFAOYSA-N
Compound name
2-hydroxy-3-phosphonooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

864
References

59898
Patents

185.99294 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.000216 135.1
[M+Na]+ 208.982158 141.2
[M-H]- 184.985664 129.0
[M+NH4]+ 204.026763 152.0
[M+K]+ 224.956098 141.7
[M+H-H2O]+ 168.990200 128.9
[M+HCOO]- 230.991141 157.2
[M+CH3COO]- 245.006791 169.8
[M+Na-2H]- 206.967606 136.9
[M]+ 185.99239142 136.0
[M]- 185.99348858 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