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

5
Patents

267.06226 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06954 155.9
[M+Na]+ 290.05148 163.9
[M-H]- 266.05498 163.7
[M+NH4]+ 285.09608 177.0
[M+K]+ 306.02542 152.0
[M+H-H2O]+ 250.05952 155.4
[M+HCOO]- 312.06046 174.3
[M+CH3COO]- 326.07611 194.6
[M+Na-2H]- 288.03693 161.8
[M]+ 267.06171 168.4
[M]- 267.06281 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