CID 155197

Methylacetylphosphonate

Structural Information

Molecular Formula
C3H7O4P
SMILES
CC(=O)P(=O)(O)OC
InChI
InChI=1S/C3H7O4P/c1-3(4)8(5,6)7-2/h1-2H3,(H,5,6)
InChIKey
QECABVMKPMRCRZ-UHFFFAOYSA-N
Compound name
acetyl(methoxy)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

320
Patents

138.0082 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.01548 125.4
[M+Na]+ 160.99742 133.7
[M-H]- 137.00092 123.8
[M+NH4]+ 156.04202 147.0
[M+K]+ 176.97136 134.6
[M+H-H2O]+ 121.00546 119.7
[M+HCOO]- 183.00640 152.6
[M+CH3COO]- 197.02205 169.6
[M+Na-2H]- 158.98287 129.6
[M]+ 138.00765 128.6
[M]- 138.00875 128.6
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