CID 15089654

Schembl1876836

Structural Information

Molecular Formula
C23H42N
SMILES
CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1CC
InChI
InChI=1S/C23H42N/c1-5-7-8-9-10-11-12-13-14-17-20-24(3,4)21-23-19-16-15-18-22(23)6-2/h15-16,18-19H,5-14,17,20-21H2,1-4H3/q+1
InChIKey
OXDCAVPYKJEOGI-UHFFFAOYSA-N
Compound name
dodecyl-[(2-ethylphenyl)methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

332.33173 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.339006 191.1
[M+Na]+ 355.320948 193.4
[M-H]- 331.324454 194.2
[M+NH4]+ 350.365553 205.8
[M+K]+ 371.294888 183.5
[M+H-H2O]+ 315.328990 185.9
[M+HCOO]- 377.329931 211.4
[M+CH3COO]- 391.345581 216.3
[M+Na-2H]- 353.306396 194.7
[M]+ 332.33118142 195.5
[M]- 332.33227858 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

No patent data available for this compound.