CID 10019305

N-(2-aminoethyl)-4-iodobenzamide hydrochloride

Structural Information

Molecular Formula
C9H11IN2O
SMILES
C1=CC(=CC=C1C(=O)NCCN)I
InChI
InChI=1S/C9H11IN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13)
InChIKey
VMUACFKIZPXVNX-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-4-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

289.9916 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.998876 155.5
[M+Na]+ 312.980818 154.7
[M-H]- 288.984324 151.6
[M+NH4]+ 308.025423 169.5
[M+K]+ 328.954758 158.2
[M+H-H2O]+ 272.988860 145.2
[M+HCOO]- 334.989801 175.1
[M+CH3COO]- 349.005451 194.0
[M+Na-2H]- 310.966266 147.8
[M]+ 289.99105142 150.7
[M]- 289.99214858 150.7
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