CID 22246867

(4-cyclohexylphenyl)methanamine

Structural Information

Molecular Formula
C13H19N
SMILES
C1CCC(CC1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C13H19N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10,14H2
InChIKey
HOTDNAGZXRCBOK-UHFFFAOYSA-N
Compound name
(4-cyclohexylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

189.15175 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

patents stripe