CID 3082615

111252-13-2

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O₂

SMILES

C1=CC(=CC=C1C(=O)NCCNCCO)Cl

InChI

InChI=1S/C11H15ClN2O2/c12-10-3-1-9(2-4-10)11(16)14-6-5-13-7-8-15/h1-4,13,15H,5-8H2,(H,14,16)

InChIKey

SPHJOGBBUGIRAM-UHFFFAOYSA-N

Compound name

4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1
Patents: 242.0822 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.08948	153.2
[M+Na]+	265.07142	159.2
[M-H]-	241.07492	155.1
[M+NH4]+	260.11602	170.3
[M+K]+	281.04536	154.8
[M+H-H2O]+	225.07946	147.5
[M+HCOO]-	287.08040	172.7
[M+CH3COO]-	301.09605	193.0
[M+Na-2H]-	263.05687	157.9
[M]+	242.08165	154.3
[M]-	242.08275	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe