CID 2307044

2-(dimethylphosphoryl)acetic acid

Structural Information

Molecular Formula
C4H9O3P
SMILES
CP(=O)(C)CC(=O)O
InChI
InChI=1S/C4H9O3P/c1-8(2,7)3-4(5)6/h3H2,1-2H3,(H,5,6)
InChIKey
RGZKEKLNNXERMN-UHFFFAOYSA-N
Compound name
2-dimethylphosphorylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

136.02893 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03621 127.8
[M+Na]+ 159.01815 135.8
[M-H]- 135.02165 126.1
[M+NH4]+ 154.06275 149.7
[M+K]+ 174.99209 135.9
[M+H-H2O]+ 119.02619 122.1
[M+HCOO]- 181.02713 154.5
[M+CH3COO]- 195.04278 170.5
[M+Na-2H]- 157.00360 131.4
[M]+ 136.02838 130.0
[M]- 136.02948 130.0
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