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
6
Annotation Hits

74
References

13948
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 190.0
[M+Na]+ 355.32095 202.4
[M+NH4]+ 350.36555 198.9
[M+K]+ 371.29489 192.4
[M-H]- 331.32445 195.0
[M+Na-2H]- 353.30640 196.5
[M]+ 332.33118 193.7
[M]- 332.33228 193.7
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