CID 13025666

2-(3-bromophenyl)propan-2-amine hydrochloride

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC(C)(C1=CC(=CC=C1)Br)N
InChI
InChI=1S/C9H12BrN/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6H,11H2,1-2H3
InChIKey
WXAFGTXOIBNLNB-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

213.0153 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 140.6
[M+Na]+ 236.00452 151.6
[M-H]- 212.00802 146.6
[M+NH4]+ 231.04912 162.6
[M+K]+ 251.97846 140.3
[M+H-H2O]+ 196.01256 140.8
[M+HCOO]- 258.01350 161.3
[M+CH3COO]- 272.02915 187.2
[M+Na-2H]- 233.98997 148.6
[M]+ 213.01475 157.2
[M]- 213.01585 157.2
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