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]+ 250.18016 158.6
[M+Na]+ 272.16210 162.6
[M-H]- 248.16560 164.3
[M+NH4]+ 267.20670 175.3
[M+K]+ 288.13604 160.1
[M+H-H2O]+ 232.17014 150.8
[M+HCOO]- 294.17108 179.8
[M+CH3COO]- 308.18673 197.3
[M+Na-2H]- 270.14755 162.1
[M]+ 249.17233 156.7
[M]- 249.17343 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.