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]+ 268.06954 155.4
[M+Na]+ 290.05148 164.3
[M-H]- 266.05498 163.5
[M+NH4]+ 285.09608 176.8
[M+K]+ 306.02542 152.4
[M+H-H2O]+ 250.05952 155.1
[M+HCOO]- 312.06046 173.8
[M+CH3COO]- 326.07611 195.6
[M+Na-2H]- 288.03693 160.7
[M]+ 267.06171 168.3
[M]- 267.06281 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.