CID 43178721

N-[(3,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC1CCCCC1NCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C16H25NO2/c1-12-6-4-5-7-14(12)17-11-13-8-9-15(18-2)16(10-13)19-3/h8-10,12,14,17H,4-7,11H2,1-3H3
InChIKey
HKYFXKXOMGYHRZ-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 163.2
[M+Na]+ 286.177758 167.6
[M-H]- 262.181264 169.0
[M+NH4]+ 281.222363 179.6
[M+K]+ 302.151698 165.0
[M+H-H2O]+ 246.185800 155.4
[M+HCOO]- 308.186741 184.0
[M+CH3COO]- 322.202391 201.5
[M+Na-2H]- 284.163206 165.4
[M]+ 263.18799142 162.0
[M]- 263.18908858 162.0
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.