CID 204167

15870-43-6

Structural Information

Molecular Formula
C16H34NO4P
SMILES
CCCCOP(=O)(OCCCC)OC(C)CN1CCCCC1
InChI
InChI=1S/C16H34NO4P/c1-4-6-13-19-22(18,20-14-7-5-2)21-16(3)15-17-11-9-8-10-12-17/h16H,4-15H2,1-3H3
InChIKey
JXWDIKAQTDFWJT-UHFFFAOYSA-N
Compound name
dibutyl 1-piperidin-1-ylpropan-2-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

335.22253 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.22981 187.5
[M+Na]+ 358.21175 188.3
[M-H]- 334.21525 185.9
[M+NH4]+ 353.25635 199.9
[M+K]+ 374.18569 187.6
[M+H-H2O]+ 318.21979 177.1
[M+HCOO]- 380.22073 207.5
[M+CH3COO]- 394.23638 211.6
[M+Na-2H]- 356.19720 185.1
[M]+ 335.22198 191.5
[M]- 335.22308 191.5
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.