CID 446060

2-phospholactic acid

Structural Information

Molecular Formula
C3H7O6P
SMILES
CC(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)
InChIKey
CSZRNWHGZPKNKY-UHFFFAOYSA-N
Compound name
2-phosphonooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
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

literature stripe

Patent stripe

patents stripe