CID 20562867

N-butyl-n,n-dimethyloctadecan-1-aminium chloride

Structural Information

Molecular Formula
C24H52N
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCC
InChI
InChI=1S/C24H52N/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(3,4)23-8-6-2/h5-24H2,1-4H3/q+1
InChIKey
FJWLQVVPVGCXPV-UHFFFAOYSA-N
Compound name
butyl-dimethyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

354.40997 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.41725 202.8
[M+Na]+ 377.39919 202.7
[M-H]- 353.40269 201.6
[M+NH4]+ 372.44379 216.7
[M+K]+ 393.37313 193.4
[M+H-H2O]+ 337.40723 198.1
[M+HCOO]- 399.40817 221.2
[M+CH3COO]- 413.42382 223.2
[M+Na-2H]- 375.38464 204.0
[M]+ 354.40942 209.9
[M]- 354.41052 209.9
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

patents stripe