CID 430080

1-ethyl-1-octadecylpiperidinium bromide

Structural Information

Molecular Formula
C25H52N
SMILES
CCCCCCCCCCCCCCCCCC[N+]1(CCCCC1)CC
InChI
InChI=1S/C25H52N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26(4-2)24-21-19-22-25-26/h3-25H2,1-2H3/q+1
InChIKey
CNDQRNKHSQJRCA-UHFFFAOYSA-N
Compound name
1-ethyl-1-octadecylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.40997 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.41725 203.6
[M+Na]+ 389.39919 201.9
[M-H]- 365.40269 201.9
[M+NH4]+ 384.44379 216.5
[M+K]+ 405.37313 191.3
[M+H-H2O]+ 349.40723 197.5
[M+HCOO]- 411.40817 216.7
[M+CH3COO]- 425.42382 216.5
[M+Na-2H]- 387.38464 203.5
[M]+ 366.40942 204.1
[M]- 366.41052 204.1
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.