CID 44578545

[2-(3-bromophenyl)ethyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C9H12BrN
SMILES
CNCCC1=CC(=CC=C1)Br
InChI
InChI=1S/C9H12BrN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3
InChIKey
IJCWRWHKCBWPDJ-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

213.0153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.022576 138.6
[M+Na]+ 236.004518 149.2
[M-H]- 212.008024 144.8
[M+NH4]+ 231.049123 160.8
[M+K]+ 251.978458 137.9
[M+H-H2O]+ 196.012560 138.3
[M+HCOO]- 258.013501 161.5
[M+CH3COO]- 272.029151 187.5
[M+Na-2H]- 233.989966 147.2
[M]+ 213.01475142 156.6
[M]- 213.01584858 156.6
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