CID 64497006

3-(2,3-dimethylphenyl)-n-ethylcyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C16H25N
SMILES
CCNC1CCCC(C1)C2=CC=CC(=C2C)C
InChI
InChI=1S/C16H25N/c1-4-17-15-9-6-8-14(11-15)16-10-5-7-12(2)13(16)3/h5,7,10,14-15,17H,4,6,8-9,11H2,1-3H3
InChIKey
QCODTZHRBAWMNN-UHFFFAOYSA-N
Compound name
3-(2,3-dimethylphenyl)-N-ethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1987 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.20598 156.6
[M+Na]+ 254.18792 161.2
[M-H]- 230.19142 162.5
[M+NH4]+ 249.23252 174.5
[M+K]+ 270.16186 157.5
[M+H-H2O]+ 214.19596 149.3
[M+HCOO]- 276.19690 177.0
[M+CH3COO]- 290.21255 197.3
[M+Na-2H]- 252.17337 158.8
[M]+ 231.19815 152.5
[M]- 231.19925 152.5
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.