CID 209698

20195-13-5

Structural Information

Molecular Formula
C12H27O4P
SMILES
CCCCCCCCOP(=O)(OCC)OCC
InChI
InChI=1S/C12H27O4P/c1-4-7-8-9-10-11-12-16-17(13,14-5-2)15-6-3/h4-12H2,1-3H3
InChIKey
AHCSHBOAPHEPDO-UHFFFAOYSA-N
Compound name
diethyl octyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

266.1647 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17198 169.4
[M+Na]+ 289.15392 174.3
[M-H]- 265.15742 167.5
[M+NH4]+ 284.19852 186.8
[M+K]+ 305.12786 173.9
[M+H-H2O]+ 249.16196 161.4
[M+HCOO]- 311.16290 195.9
[M+CH3COO]- 325.17855 199.8
[M+Na-2H]- 287.13937 170.6
[M]+ 266.16415 179.4
[M]- 266.16525 179.4
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.