CID 5326965

(2r)-2-phosphonooxypropanoic acid

Structural Information

Molecular Formula
C3H7O6P
SMILES
C[C@@H](C(=O)O)OP(=O)(O)O
InChI
InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1
InChIKey
CSZRNWHGZPKNKY-REOHCLBHSA-N
Compound name
(2S)-2-phosphonooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

157
Patents

169.99803 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.00531 132.1
[M+Na]+ 192.98725 138.9
[M-H]- 168.99075 127.5
[M+NH4]+ 188.03185 150.6
[M+K]+ 208.96119 139.6
[M+H-H2O]+ 152.99529 126.1
[M+HCOO]- 214.99623 155.6
[M+CH3COO]- 229.01188 169.8
[M+Na-2H]- 190.97270 134.2
[M]+ 169.99748 133.5
[M]- 169.99858 133.5
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