CID 50462

69365-71-5

Structural Information

Molecular Formula
C13H22N
SMILES
CC(CCC1=CC=CC=C1)[N+](C)(C)C
InChI
InChI=1S/C13H22N/c1-12(14(2,3)4)10-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3/q+1
InChIKey
YZQZHSWQQYGOJR-UHFFFAOYSA-N
Compound name
trimethyl(4-phenylbutan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.17523 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.18251 144.2
[M+Na]+ 215.16445 149.7
[M-H]- 191.16795 149.1
[M+NH4]+ 210.20905 164.3
[M+K]+ 231.13839 142.9
[M+H-H2O]+ 175.17249 141.1
[M+HCOO]- 237.17343 167.0
[M+CH3COO]- 251.18908 185.7
[M+Na-2H]- 213.14990 152.9
[M]+ 192.17468 144.0
[M]- 192.17578 144.0
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.