CID 10111330

Benzenemethanaminium, ar-dodecyl-n,n,n-triethyl-, chloride

Structural Information

Molecular Formula
C25H46N
SMILES
CCCCCCCCCCCCC(C1=CC=CC=C1)[N+](CC)(CC)CC
InChI
InChI=1S/C25H46N/c1-5-9-10-11-12-13-14-15-16-20-23-25(24-21-18-17-19-22-24)26(6-2,7-3)8-4/h17-19,21-22,25H,5-16,20,23H2,1-4H3/q+1
InChIKey
INEUTTFARBFMGL-UHFFFAOYSA-N
Compound name
triethyl(1-phenyltridecyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2245
Patents

360.36304 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.370316 201.1
[M+Na]+ 383.352258 201.4
[M-H]- 359.355764 203.5
[M+NH4]+ 378.396863 214.2
[M+K]+ 399.326198 191.4
[M+H-H2O]+ 343.360300 195.3
[M+HCOO]- 405.361241 219.7
[M+CH3COO]- 419.376891 221.8
[M+Na-2H]- 381.337706 203.0
[M]+ 360.36249142 205.2
[M]- 360.36358858 205.2
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