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]+ 210.10440 146.6
[M+Na]+ 232.08634 152.9
[M-H]- 208.08984 152.1
[M+NH4]+ 227.13094 167.4
[M+K]+ 248.06028 148.0
[M+H-H2O]+ 192.09438 141.0
[M+HCOO]- 254.09532 163.2
[M+CH3COO]- 268.11097 158.7
[M+Na-2H]- 230.07179 151.8
[M]+ 209.09657 141.7
[M]- 209.09767 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