CID 6433483

6458-13-5

Structural Information

Molecular Formula
C22H46N
SMILES
CCCCCCCC/C=C/CCCCCCCC[N+](C)(C)CC
InChI
InChI=1S/C22H46N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2/h13-14H,5-12,15-22H2,1-4H3/q+1/b14-13+
InChIKey
WABIMBGBOXIAEH-BUHFOSPRSA-N
Compound name
ethyl-dimethyl-[(E)-octadec-9-enyl]azanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

396
Patents

324.36304 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.37032 192.3
[M+Na]+ 347.35226 193.4
[M-H]- 323.35576 191.6
[M+NH4]+ 342.39686 207.4
[M+K]+ 363.32620 184.0
[M+H-H2O]+ 307.36030 188.1
[M+HCOO]- 369.36124 211.6
[M+CH3COO]- 383.37689 215.5
[M+Na-2H]- 345.33771 194.6
[M]+ 324.36249 197.9
[M]- 324.36359 197.9
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