CID 417969

Nsc97035

Structural Information

Molecular Formula
C15H24N
SMILES
C[N+](C)(C)C1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C15H24N/c1-16(2,3)15(12-8-5-9-13-15)14-10-6-4-7-11-14/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3/q+1
InChIKey
ICFVFAICDHWELA-UHFFFAOYSA-N
Compound name
trimethyl-(1-phenylcyclohexyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.19087 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.19815 151.1
[M+Na]+ 241.18009 154.9
[M-H]- 217.18359 158.3
[M+NH4]+ 236.22469 171.4
[M+K]+ 257.15403 147.4
[M+H-H2O]+ 201.18813 147.1
[M+HCOO]- 263.18907 171.3
[M+CH3COO]- 277.20472 187.0
[M+Na-2H]- 239.16554 160.3
[M]+ 218.19032 145.6
[M]- 218.19142 145.6
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

No patent data available for this compound.