CID 10847785

N-(2-aminoethyl)-4-bromobenzamide

Structural Information

Molecular Formula
C9H11BrN2O
SMILES
C1=CC(=CC=C1C(=O)NCCN)Br
InChI
InChI=1S/C9H11BrN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13)
InChIKey
NAZZZOYVGVVJEB-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-4-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

242.00548 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.012756 145.3
[M+Na]+ 264.994698 154.7
[M-H]- 240.998204 150.7
[M+NH4]+ 260.039303 165.3
[M+K]+ 280.968638 143.0
[M+H-H2O]+ 225.002740 143.7
[M+HCOO]- 287.003681 167.7
[M+CH3COO]- 301.019331 192.8
[M+Na-2H]- 262.980146 151.6
[M]+ 242.00493142 161.4
[M]- 242.00602858 161.4
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