CID 3015148

Einecs 245-452-1

Structural Information

Molecular Formula
C15H24N
SMILES
C[N+](C)(CC1=CC=CC=C1)C2CCCCC2
InChI
InChI=1S/C15H24N/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3/q+1
InChIKey
ZDFXPIIFMMPTKC-UHFFFAOYSA-N
Compound name
benzyl-cyclohexyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

218.19087 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.19815 151.3
[M+Na]+ 241.18009 154.1
[M-H]- 217.18359 158.1
[M+NH4]+ 236.22469 169.5
[M+K]+ 257.15403 146.3
[M+H-H2O]+ 201.18813 146.7
[M+HCOO]- 263.18907 171.5
[M+CH3COO]- 277.20472 187.6
[M+Na-2H]- 239.16554 159.4
[M]+ 218.19032 145.5
[M]- 218.19142 145.5
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