CID 205668

13235-83-1

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC(CC1=CC=C(C=C1)Br)N
InChI
InChI=1S/C9H12BrN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChIKey
SMNXUMMCCOZPPN-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

278
Patents

213.0153 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 140.5
[M+Na]+ 236.00452 150.8
[M-H]- 212.00802 146.2
[M+NH4]+ 231.04912 162.3
[M+K]+ 251.97846 139.5
[M+H-H2O]+ 196.01256 140.2
[M+HCOO]- 258.01350 161.8
[M+CH3COO]- 272.02915 187.7
[M+Na-2H]- 233.98997 146.8
[M]+ 213.01475 156.9
[M]- 213.01585 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe