CID 109689

Phosphoric acid, butyl 2-ethoxyethyl ester

Structural Information

Molecular Formula
C8H19O5P
SMILES
CCCCOP(=O)(O)OCCOCC
InChI
InChI=1S/C8H19O5P/c1-3-5-6-12-14(9,10)13-8-7-11-4-2/h3-8H2,1-2H3,(H,9,10)
InChIKey
NEDVNUPDHHLVKV-UHFFFAOYSA-N
Compound name
butyl 2-ethoxyethyl hydrogen 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 153.5
[M+Na]+ 249.08624 159.5
[M-H]- 225.08974 150.8
[M+NH4]+ 244.13084 171.7
[M+K]+ 265.06018 159.8
[M+H-H2O]+ 209.09428 146.2
[M+HCOO]- 271.09522 180.1
[M+CH3COO]- 285.11087 187.1
[M+Na-2H]- 247.07169 156.5
[M]+ 226.09647 161.4
[M]- 226.09757 161.4
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.