CID 3052884

Phosphoric acid, diethyl 2-(ethoxy)ethyl ester

Structural Information

Molecular Formula
C8H19O5P
SMILES
CCOCCOP(=O)(OCC)OCC
InChI
InChI=1S/C8H19O5P/c1-4-10-7-8-13-14(9,11-5-2)12-6-3/h4-8H2,1-3H3
InChIKey
WHYDQOAVSFYOCB-UHFFFAOYSA-N
Compound name
2-ethoxyethyl diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09702 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10430 152.4
[M+Na]+ 249.08624 158.9
[M-H]- 225.08974 151.2
[M+NH4]+ 244.13084 171.3
[M+K]+ 265.06018 160.1
[M+H-H2O]+ 209.09428 145.0
[M+HCOO]- 271.09522 180.5
[M+CH3COO]- 285.11087 189.7
[M+Na-2H]- 247.07169 156.0
[M]+ 226.09647 162.3
[M]- 226.09757 162.3
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

No patent data available for this compound.