CID 4130331

Trimethyl(2,4,5-trimethylbenzyl)ammonium bromide

Structural Information

Molecular Formula
C13H22N
SMILES
CC1=CC(=C(C=C1C)C[N+](C)(C)C)C
InChI
InChI=1S/C13H22N/c1-10-7-12(3)13(8-11(10)2)9-14(4,5)6/h7-8H,9H2,1-6H3/q+1
InChIKey
FXQBZYBKPMKOFH-UHFFFAOYSA-N
Compound name
trimethyl-[(2,4,5-trimethylphenyl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.17523 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.18251 141.4
[M+Na]+ 215.16445 150.0
[M-H]- 191.16795 147.5
[M+NH4]+ 210.20905 162.6
[M+K]+ 231.13839 142.9
[M+H-H2O]+ 175.17249 139.1
[M+HCOO]- 237.17343 165.3
[M+CH3COO]- 251.18908 188.2
[M+Na-2H]- 213.14990 149.5
[M]+ 192.17468 143.0
[M]- 192.17578 143.0
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.