CID 20431424

Schembl2060007

Structural Information

Molecular Formula
C22H40N
SMILES
CCCCCCCCCCCCC1=CC=CC=C1C[N+](C)(C)C
InChI
InChI=1S/C22H40N/c1-5-6-7-8-9-10-11-12-13-14-17-21-18-15-16-19-22(21)20-23(2,3)4/h15-16,18-19H,5-14,17,20H2,1-4H3/q+1
InChIKey
FPKVMGWUQUBUFE-UHFFFAOYSA-N
Compound name
(2-dodecylphenyl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

318.31607 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.323346 186.4
[M+Na]+ 341.305288 189.2
[M-H]- 317.308794 189.7
[M+NH4]+ 336.349893 201.7
[M+K]+ 357.279228 179.6
[M+H-H2O]+ 301.313330 181.4
[M+HCOO]- 363.314271 207.1
[M+CH3COO]- 377.329921 213.3
[M+Na-2H]- 339.290736 190.6
[M]+ 318.31552142 190.5
[M]- 318.31661858 190.5
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