CID 262910

N-methyl-1-phenylcyclohexylamine

Structural Information

Molecular Formula
C13H19N
SMILES
CNC1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-14-13(10-6-3-7-11-13)12-8-4-2-5-9-12/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3
InChIKey
TVXWSRNLIRYOFR-UHFFFAOYSA-N
Compound name
N-methyl-1-phenylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

189.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 143.8
[M+Na]+ 212.14097 147.8
[M-H]- 188.14447 149.5
[M+NH4]+ 207.18557 164.5
[M+K]+ 228.11491 145.0
[M+H-H2O]+ 172.14901 136.9
[M+HCOO]- 234.14995 165.3
[M+CH3COO]- 248.16560 184.5
[M+Na-2H]- 210.12642 150.7
[M]+ 189.15120 137.7
[M]- 189.15230 137.7
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

patents stripe