CID 5326965

L-phospholactate

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
5
Annotation Hits

14
References

146
Patents

169.99803 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.005306 132.1
[M+Na]+ 192.987248 138.9
[M-H]- 168.990754 127.5
[M+NH4]+ 188.031853 150.6
[M+K]+ 208.961188 139.6
[M+H-H2O]+ 152.995290 126.1
[M+HCOO]- 214.996231 155.6
[M+CH3COO]- 229.011881 169.8
[M+Na-2H]- 190.972696 134.2
[M]+ 169.99748142 133.5
[M]- 169.99857858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.