CID 54593026

(4-methylcyclohexyl)(2-methylphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C15H23N
SMILES
CC1CCC(CC1)C(C2=CC=CC=C2C)N
InChI
InChI=1S/C15H23N/c1-11-7-9-13(10-8-11)15(16)14-6-4-3-5-12(14)2/h3-6,11,13,15H,7-10,16H2,1-2H3
InChIKey
DKTSNKIUBHRNPS-UHFFFAOYSA-N
Compound name
(4-methylcyclohexyl)-(2-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.18304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.190316 153.2
[M+Na]+ 240.172258 157.1
[M-H]- 216.175764 158.5
[M+NH4]+ 235.216863 171.1
[M+K]+ 256.146198 153.7
[M+H-H2O]+ 200.180300 146.1
[M+HCOO]- 262.181241 172.3
[M+CH3COO]- 276.196891 193.4
[M+Na-2H]- 238.157706 154.4
[M]+ 217.18249142 146.8
[M]- 217.18358858 146.8
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.