CID 471183

2-hydroxy-2-phosphonopropionic acid

Structural Information

Molecular Formula
C3H7O6P
SMILES
CC(C(=O)O)(O)P(=O)(O)O
InChI
InChI=1S/C3H7O6P/c1-3(6,2(4)5)10(7,8)9/h6H,1H3,(H,4,5)(H2,7,8,9)
InChIKey
DCZIEFPBLCHYII-UHFFFAOYSA-N
Compound name
2-hydroxy-2-phosphonopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

109
Patents

169.99803 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.00531 133.6
[M+Na]+ 192.98725 140.5
[M-H]- 168.99075 127.8
[M+NH4]+ 188.03185 151.5
[M+K]+ 208.96119 140.3
[M+H-H2O]+ 152.99529 128.4
[M+HCOO]- 214.99623 154.9
[M+CH3COO]- 229.01188 167.0
[M+Na-2H]- 190.97270 137.6
[M]+ 169.99748 133.2
[M]- 169.99858 133.2
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