CID 119559

91154-17-5

Structural Information

Molecular Formula
C4H9O4P
SMILES
CP(=O)(C)C(C(=O)O)O
InChI
InChI=1S/C4H9O4P/c1-9(2,8)4(7)3(5)6/h4,7H,1-2H3,(H,5,6)
InChIKey
UTDPHALOLFEIHB-UHFFFAOYSA-N
Compound name
2-dimethylphosphoryl-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

80
Patents

152.02385 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.031126 131.3
[M+Na]+ 175.013068 138.5
[M-H]- 151.016574 128.2
[M+NH4]+ 170.057673 151.6
[M+K]+ 190.987008 138.7
[M+H-H2O]+ 135.021110 125.6
[M+HCOO]- 197.022051 155.7
[M+CH3COO]- 211.037701 170.9
[M+Na-2H]- 172.998516 133.2
[M]+ 152.02330142 132.3
[M]- 152.02439858 132.3
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