CID 406979

(alpha,alpha-dimethylbenzyl)trimethylammonium chloride

Structural Information

Molecular Formula
C12H20N
SMILES
CC(C)(C1=CC=CC=C1)[N+](C)(C)C
InChI
InChI=1S/C12H20N/c1-12(2,13(3,4)5)11-9-7-6-8-10-11/h6-10H,1-5H3/q+1
InChIKey
UQGRFGNSADNFSU-UHFFFAOYSA-N
Compound name
trimethyl(2-phenylpropan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

178.15958 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.166856 138.0
[M+Na]+ 201.148798 144.6
[M-H]- 177.152304 143.4
[M+NH4]+ 196.193403 158.9
[M+K]+ 217.122738 138.2
[M+H-H2O]+ 161.156840 135.7
[M+HCOO]- 223.157781 160.6
[M+CH3COO]- 237.173431 182.3
[M+Na-2H]- 199.134246 149.4
[M]+ 178.15903142 137.6
[M]- 178.16012858 137.6
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