CID 56732

Einecs 302-547-3

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O₂

SMILES

CN(C)CCOC(=O)C1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C11H15ClN2O2/c1-14(2)5-6-16-11(15)8-3-4-9(12)10(13)7-8/h3-4,7H,5-6,13H2,1-2H3

InChIKey

BMDZNGISRKXXIF-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 3-amino-4-chlorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 200
Patents: 242.0822 Da
Monoisotopic Mass: 1.8
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	152.5
[M+Na]+	265.07142	163.7
[M+NH4]+	260.11602	160.2
[M+K]+	281.04536	158.0
[M-H]-	241.07492	155.1
[M+Na-2H]-	263.05687	158.1
[M]+	242.08165	154.9
[M]-	242.08275	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe