CID 43345661

1-(3-bromophenyl)cyclohexan-1-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

253.04662 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.053896 151.4
[M+Na]+ 276.035838 159.9
[M-H]- 252.039344 159.4
[M+NH4]+ 271.080443 173.1
[M+K]+ 292.009778 148.2
[M+H-H2O]+ 236.043880 151.2
[M+HCOO]- 298.044821 170.2
[M+CH3COO]- 312.060471 191.7
[M+Na-2H]- 274.021286 157.9
[M]+ 253.04607142 163.7
[M]- 253.04716858 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