CID 22026326

1-(2-bromophenyl)propan-2-amine hydrochloride

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC(CC1=CC=CC=C1Br)N
InChI
InChI=1S/C9H12BrN/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7H,6,11H2,1H3
InChIKey
VGJBPBDFJNFFRO-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

213.0153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 138.4
[M+Na]+ 236.00452 141.4
[M+NH4]+ 231.04912 143.9
[M+K]+ 251.97846 141.0
[M-H]- 212.00802 140.0
[M+Na-2H]- 233.98997 142.4
[M]+ 213.01475 138.1
[M]- 213.01585 138.1
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