CID 171517

Phosphoric acid, dimethyl 2-propynyl ester

Structural Information

Molecular Formula
C5H9O4P
SMILES
COP(=O)(OC)OCC#C
InChI
InChI=1S/C5H9O4P/c1-4-5-9-10(6,7-2)8-3/h1H,5H2,2-3H3
InChIKey
QUXVOPRUXVTIAY-UHFFFAOYSA-N
Compound name
dimethyl prop-2-ynyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

164.02385 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.031126 125.8
[M+Na]+ 187.013068 135.9
[M-H]- 163.016574 125.0
[M+NH4]+ 182.057673 145.1
[M+K]+ 202.987008 136.4
[M+H-H2O]+ 147.021110 113.9
[M+HCOO]- 209.022051 148.9
[M+CH3COO]- 223.037701 185.5
[M+Na-2H]- 184.998516 130.9
[M]+ 164.02330142 126.8
[M]- 164.02439858 126.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe