CID 9837935

Diethoxyphosphoryloxymethyl butanoate

Structural Information

Molecular Formula
C9H19O6P
SMILES
CCCC(=O)OCOP(=O)(OCC)OCC
InChI
InChI=1S/C9H19O6P/c1-4-7-9(10)12-8-15-16(11,13-5-2)14-6-3/h4-8H2,1-3H3
InChIKey
UGIGKLCVADLBRB-UHFFFAOYSA-N
Compound name
diethoxyphosphoryloxymethyl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

13
Patents

254.09192 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09920 157.5
[M+Na]+ 277.08114 163.6
[M-H]- 253.08464 156.3
[M+NH4]+ 272.12574 175.2
[M+K]+ 293.05508 165.0
[M+H-H2O]+ 237.08918 149.9
[M+HCOO]- 299.09012 184.8
[M+CH3COO]- 313.10577 193.9
[M+Na-2H]- 275.06659 159.7
[M]+ 254.09137 167.8
[M]- 254.09247 167.8
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