CID 112137

Einecs 273-671-2

Structural Information

Molecular Formula
C24H51O4P
SMILES
CCCCCCCCCCCCCCC(CP(=O)(OCCCC)OCCCC)O
InChI
InChI=1S/C24H51O4P/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-24(25)23-29(26,27-21-8-5-2)28-22-9-6-3/h24-25H,4-23H2,1-3H3
InChIKey
WKAMPYICUVBLIA-UHFFFAOYSA-N
Compound name
1-dibutoxyphosphorylhexadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

434.3525 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.35978 216.1
[M+Na]+ 457.34172 220.2
[M-H]- 433.34522 203.3
[M+NH4]+ 452.38632 215.8
[M+K]+ 473.31566 217.2
[M+H-H2O]+ 417.34976 215.9
[M+HCOO]- 479.35070 227.4
[M+CH3COO]- 493.36635 233.4
[M+Na-2H]- 455.32717 201.3
[M]+ 434.35195 214.9
[M]- 434.35305 214.9
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.