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]+ 232.205976 156.6
[M+Na]+ 254.187918 161.2
[M-H]- 230.191424 162.5
[M+NH4]+ 249.232523 174.5
[M+K]+ 270.161858 157.5
[M+H-H2O]+ 214.195960 149.3
[M+HCOO]- 276.196901 177.0
[M+CH3COO]- 290.212551 197.3
[M+Na-2H]- 252.173366 158.8
[M]+ 231.19815142 152.5
[M]- 231.19924858 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.