CID 13025666

676135-18-5

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

139
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 139.3
[M+Na]+ 236.00452 142.4
[M+NH4]+ 231.04912 144.8
[M+K]+ 251.97846 142.3
[M-H]- 212.00802 140.5
[M+Na-2H]- 233.98997 143.5
[M]+ 213.01475 139.0
[M]- 213.01585 139.0
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