CID 47003188

1-[(4-bromophenyl)methyl]cyclohexan-1-amine

Structural Information

Molecular Formula
C13H18BrN
SMILES
C1CCC(CC1)(CC2=CC=C(C=C2)Br)N
InChI
InChI=1S/C13H18BrN/c14-12-6-4-11(5-7-12)10-13(15)8-2-1-3-9-13/h4-7H,1-3,8-10,15H2
InChIKey
NRHDLICZUZLWMI-UHFFFAOYSA-N
Compound name
1-[(4-bromophenyl)methyl]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

267.06226 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.069536 155.9
[M+Na]+ 290.051478 163.9
[M-H]- 266.054984 163.7
[M+NH4]+ 285.096083 177.0
[M+K]+ 306.025418 152.0
[M+H-H2O]+ 250.059520 155.4
[M+HCOO]- 312.060461 174.3
[M+CH3COO]- 326.076111 194.6
[M+Na-2H]- 288.036926 161.8
[M]+ 267.06171142 168.4
[M]- 267.06280858 168.4
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