CID 451443

Trimethyl phosphonoformate

Structural Information

Molecular Formula
C4H9O5P
SMILES
COC(=O)P(=O)(OC)OC
InChI
InChI=1S/C4H9O5P/c1-7-4(5)10(6,8-2)9-3/h1-3H3
InChIKey
VITRIUYHBVKBDH-UHFFFAOYSA-N
Compound name
methyl dimethoxyphosphorylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

375
Patents

168.01875 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02603 131.2
[M+Na]+ 191.00797 139.5
[M-H]- 167.01147 130.9
[M+NH4]+ 186.05257 152.4
[M+K]+ 206.98191 141.7
[M+H-H2O]+ 151.01601 124.9
[M+HCOO]- 213.01695 159.9
[M+CH3COO]- 227.03260 176.7
[M+Na-2H]- 188.99342 135.8
[M]+ 168.01820 138.2
[M]- 168.01930 138.2
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