CID 8756

Benzyldimethyltetradecylammonium

Structural Information

Molecular Formula
C23H42N
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1
InChIKey
WNBGYVXHFTYOBY-UHFFFAOYSA-N
Compound name
benzyl-dimethyl-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

74
References

14994
Patents

332.33173 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.33901 191.7
[M+Na]+ 355.32095 193.0
[M-H]- 331.32445 194.4
[M+NH4]+ 350.36555 206.0
[M+K]+ 371.29489 183.2
[M+H-H2O]+ 315.32899 186.2
[M+HCOO]- 377.32993 212.0
[M+CH3COO]- 391.34558 215.3
[M+Na-2H]- 353.30640 195.9
[M]+ 332.33118 195.7
[M]- 332.33228 195.7
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