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

5
Patents

203.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 148.6
[M+Na]+ 226.15662 153.3
[M-H]- 202.16012 154.0
[M+NH4]+ 221.20122 168.9
[M+K]+ 242.13056 149.8
[M+H-H2O]+ 186.16466 141.9
[M+HCOO]- 248.16560 169.1
[M+CH3COO]- 262.18125 187.9
[M+Na-2H]- 224.14207 153.3
[M]+ 203.16685 142.3
[M]- 203.16795 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