CID 171340

Nonyl dimethylbenzylammonium

Structural Information

Molecular Formula
C18H32N
SMILES
CCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C18H32N/c1-4-5-6-7-8-9-13-16-19(2,3)17-18-14-11-10-12-15-18/h10-12,14-15H,4-9,13,16-17H2,1-3H3/q+1
InChIKey
VRYRQBMYZJZRAE-UHFFFAOYSA-N
Compound name
benzyl-dimethyl-nonylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

270
Patents

262.25348 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.260756 168.3
[M+Na]+ 285.242698 171.9
[M-H]- 261.246204 172.1
[M+NH4]+ 280.287303 185.6
[M+K]+ 301.216638 163.3
[M+H-H2O]+ 245.250740 164.0
[M+HCOO]- 307.251681 190.4
[M+CH3COO]- 321.267331 200.2
[M+Na-2H]- 283.228146 175.3
[M]+ 262.25293142 170.6
[M]- 262.25402858 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe