CID 205110

(1-phenylcyclohexyl)methanamine

Structural Information

Molecular Formula
C13H19N
SMILES
C1CCC(CC1)(CN)C2=CC=CC=C2
InChI
InChI=1S/C13H19N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2
InChIKey
ULRBJKIRTCBMRW-UHFFFAOYSA-N
Compound name
(1-phenylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

188
Patents

189.15175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 144.5
[M+Na]+ 212.140968 148.6
[M-H]- 188.144474 149.7
[M+NH4]+ 207.185573 165.0
[M+K]+ 228.114908 145.4
[M+H-H2O]+ 172.149010 137.7
[M+HCOO]- 234.149951 165.4
[M+CH3COO]- 248.165601 183.8
[M+Na-2H]- 210.126416 150.3
[M]+ 189.15120142 137.5
[M]- 189.15229858 137.5
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