CID 3056450

Ds-49

Structural Information

Molecular Formula
C14H31NO4P
SMILES
CCCOP(=O)(OCCC)OCC[N+]1(CCCCC1)C
InChI
InChI=1S/C14H31NO4P/c1-4-12-17-20(16,18-13-5-2)19-14-11-15(3)9-7-6-8-10-15/h4-14H2,1-3H3/q+1
InChIKey
BSLUQDAESIPXET-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-1-ium-1-yl)ethyl dipropyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

308.19907 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20635 176.0
[M+Na]+ 331.18829 178.8
[M-H]- 307.19179 175.6
[M+NH4]+ 326.23289 191.7
[M+K]+ 347.16223 172.8
[M+H-H2O]+ 291.19633 169.9
[M+HCOO]- 353.19727 197.4
[M+CH3COO]- 367.21292 197.4
[M+Na-2H]- 329.17374 180.3
[M]+ 308.19852 178.5
[M]- 308.19962 178.5
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.