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]+ 264.19582 163.2
[M+Na]+ 286.17776 167.6
[M-H]- 262.18126 169.0
[M+NH4]+ 281.22236 179.6
[M+K]+ 302.15170 165.0
[M+H-H2O]+ 246.18580 155.4
[M+HCOO]- 308.18674 184.0
[M+CH3COO]- 322.20239 201.5
[M+Na-2H]- 284.16321 165.4
[M]+ 263.18799 162.0
[M]- 263.18909 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.