CID 21534647

1368795-72-5

Structural Information

Molecular Formula
C13H19N
SMILES
CC1=CC=C(C=C1)C2CCC(CC2)N
InChI
InChI=1S/C13H19N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-5,12-13H,6-9,14H2,1H3
InChIKey
RYQPVSXRIFAFNB-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

189.15175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 143.7
[M+Na]+ 212.140968 148.8
[M-H]- 188.144474 149.3
[M+NH4]+ 207.185573 162.8
[M+K]+ 228.114908 145.3
[M+H-H2O]+ 172.149010 136.9
[M+HCOO]- 234.149951 164.6
[M+CH3COO]- 248.165601 186.4
[M+Na-2H]- 210.126416 147.3
[M]+ 189.15120142 137.2
[M]- 189.15229858 137.2
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