CID 33918

Quaternium-14 ion

Structural Information

Molecular Formula
C23H42N
SMILES
CCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)CC
InChI
InChI=1S/C23H42N/c1-5-7-8-9-10-11-12-13-14-15-20-24(3,4)21-23-18-16-22(6-2)17-19-23/h16-19H,5-15,20-21H2,1-4H3/q+1
InChIKey
KXLOQZDPPMUHLF-UHFFFAOYSA-N
Compound name
dodecyl-[(4-ethylphenyl)methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1876
Patents

332.33173 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.33901 191.1
[M+Na]+ 355.32095 193.4
[M-H]- 331.32445 194.2
[M+NH4]+ 350.36555 205.8
[M+K]+ 371.29489 183.5
[M+H-H2O]+ 315.32899 185.9
[M+HCOO]- 377.32993 211.4
[M+CH3COO]- 391.34558 216.3
[M+Na-2H]- 353.30640 194.7
[M]+ 332.33118 195.5
[M]- 332.33228 195.5
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