CID 24273946

1-(4-chlorophenyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C12H16ClN
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C12H16ClN/c13-11-6-4-10(5-7-11)12(14)8-2-1-3-9-12/h4-7H,1-3,8-9,14H2
InChIKey
KGYIGTJQINELJP-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

209.09712 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.104396 146.6
[M+Na]+ 232.086338 152.9
[M-H]- 208.089844 152.1
[M+NH4]+ 227.130943 167.4
[M+K]+ 248.060278 148.0
[M+H-H2O]+ 192.094380 141.0
[M+HCOO]- 254.095321 163.2
[M+CH3COO]- 268.110971 158.7
[M+Na-2H]- 230.071786 151.8
[M]+ 209.09657142 141.7
[M]- 209.09766858 141.7
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