CID 13028010

N-(2-aminoethyl)-2-chlorobenzamide hydrochloride

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
C1=CC=C(C(=C1)C(=O)NCCN)Cl
InChI
InChI=1S/C9H11ClN2O/c10-8-4-2-1-3-7(8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13)
InChIKey
RUVWGQHNZCDFBC-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

198.05598 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06326 141.8
[M+Na]+ 221.04520 149.2
[M-H]- 197.04870 144.9
[M+NH4]+ 216.08980 161.2
[M+K]+ 237.01914 145.2
[M+H-H2O]+ 181.05324 136.5
[M+HCOO]- 243.05418 162.6
[M+CH3COO]- 257.06983 186.7
[M+Na-2H]- 219.03065 146.9
[M]+ 198.05543 141.6
[M]- 198.05653 141.6
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