CID 3018343

2-benzylcyclohexylamine

Structural Information

Molecular Formula
C13H19N
SMILES
C1CCC(C(C1)CC2=CC=CC=C2)N
InChI
InChI=1S/C13H19N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2
InChIKey
YOPIHDSNQOMRGC-UHFFFAOYSA-N
Compound name
2-benzylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 143.7
[M+Na]+ 212.140968 147.8
[M-H]- 188.144474 148.9
[M+NH4]+ 207.185573 162.5
[M+K]+ 228.114908 144.3
[M+H-H2O]+ 172.149010 136.6
[M+HCOO]- 234.149951 164.6
[M+CH3COO]- 248.165601 185.3
[M+Na-2H]- 210.126416 148.0
[M]+ 189.15120142 136.8
[M]- 189.15229858 136.8
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