CID 43146560

1-(4-bromophenyl)cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H16BrN
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C12H16BrN/c13-11-6-4-10(5-7-11)12(14)8-2-1-3-9-12/h4-7H,1-3,8-9,14H2
InChIKey
RZUGXFFZRKVUNT-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

253.04662 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05390 151.4
[M+Na]+ 276.03584 159.9
[M-H]- 252.03934 159.4
[M+NH4]+ 271.08044 173.1
[M+K]+ 292.00978 148.2
[M+H-H2O]+ 236.04388 151.2
[M+HCOO]- 298.04482 170.2
[M+CH3COO]- 312.06047 191.7
[M+Na-2H]- 274.02129 157.9
[M]+ 253.04607 163.7
[M]- 253.04717 163.7
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