CID 39871066

[1-(3-methylphenyl)cyclohexyl]methanamine

Structural Information

Molecular Formula
C14H21N
SMILES
CC1=CC(=CC=C1)C2(CCCCC2)CN
InChI
InChI=1S/C14H21N/c1-12-6-5-7-13(10-12)14(11-15)8-3-2-4-9-14/h5-7,10H,2-4,8-9,11,15H2,1H3
InChIKey
MAQLUZGGBATJQX-UHFFFAOYSA-N
Compound name
[1-(3-methylphenyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

203.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 148.6
[M+Na]+ 226.156618 153.3
[M-H]- 202.160124 154.0
[M+NH4]+ 221.201223 168.9
[M+K]+ 242.130558 149.8
[M+H-H2O]+ 186.164660 141.9
[M+HCOO]- 248.165601 169.1
[M+CH3COO]- 262.181251 187.9
[M+Na-2H]- 224.142066 153.3
[M]+ 203.16685142 142.3
[M]- 203.16794858 142.3
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

patents stripe