CID 82305049

1-(4-bromo-3-methylphenyl)cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H18BrN
SMILES
CC1=C(C=CC(=C1)C2(CCCCC2)N)Br
InChI
InChI=1S/C13H18BrN/c1-10-9-11(5-6-12(10)14)13(15)7-3-2-4-8-13/h5-6,9H,2-4,7-8,15H2,1H3
InChIKey
QYFZYUMPVCCQHL-UHFFFAOYSA-N
Compound name
1-(4-bromo-3-methylphenyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.06226 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.069536 155.4
[M+Na]+ 290.051478 164.3
[M-H]- 266.054984 163.5
[M+NH4]+ 285.096083 176.8
[M+K]+ 306.025418 152.4
[M+H-H2O]+ 250.059520 155.1
[M+HCOO]- 312.060461 173.8
[M+CH3COO]- 326.076111 195.6
[M+Na-2H]- 288.036926 160.7
[M]+ 267.06171142 168.3
[M]- 267.06280858 168.3
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

No patent data available for this compound.