CID 485401

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

Structural Information

Molecular Formula
C9H12BrN
SMILES
CCNCC1=CC=CC=C1Br
InChI
InChI=1S/C9H12BrN/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3
InChIKey
LIRKZBIKUSDDKN-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

213.0153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 138.6
[M+Na]+ 236.00452 149.2
[M-H]- 212.00802 144.8
[M+NH4]+ 231.04912 160.8
[M+K]+ 251.97846 137.9
[M+H-H2O]+ 196.01256 138.3
[M+HCOO]- 258.01350 161.5
[M+CH3COO]- 272.02915 187.5
[M+Na-2H]- 233.98997 147.2
[M]+ 213.01475 156.6
[M]- 213.01585 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