CID 408381

N-[(3,4-dimethoxyphenyl)methyl]cyclohexanamine hydrochloride

Structural Information

Molecular Formula
C15H23NO2
SMILES
COC1=C(C=C(C=C1)CNC2CCCCC2)OC
InChI
InChI=1S/C15H23NO2/c1-17-14-9-8-12(10-15(14)18-2)11-16-13-6-4-3-5-7-13/h8-10,13,16H,3-7,11H2,1-2H3
InChIKey
QFLBUZZARCEDNO-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 158.6
[M+Na]+ 272.162098 162.6
[M-H]- 248.165604 164.3
[M+NH4]+ 267.206703 175.3
[M+K]+ 288.136038 160.1
[M+H-H2O]+ 232.170140 150.8
[M+HCOO]- 294.171081 179.8
[M+CH3COO]- 308.186731 197.3
[M+Na-2H]- 270.147546 162.1
[M]+ 249.17233142 156.7
[M]- 249.17342858 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.