CID 54918501

Ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate

Structural Information

Molecular Formula

C₁₃H₁₆ClNO₂

SMILES

CCOC(=O)C(C1=CC=C(C=C1)Cl)NC2CC2

InChI

InChI=1S/C13H16ClNO2/c1-2-17-13(16)12(15-11-7-8-11)9-3-5-10(14)6-4-9/h3-6,11-12,15H,2,7-8H2,1H3

InChIKey

SSJXGLCMCDFTFC-UHFFFAOYSA-N

Compound name

ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.08696 Da
Monoisotopic Mass: 3.0
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]+	254.094236	151.3
[M+Na]+	276.076178	159.2
[M-H]-	252.079684	158.3
[M+NH4]+	271.120783	164.1
[M+K]+	292.050118	154.8
[M+H-H2O]+	236.084220	145.0
[M+HCOO]-	298.085161	170.4
[M+CH3COO]-	312.100811	198.4
[M+Na-2H]-	274.061626	154.9
[M]+	253.08641142	156.3
[M]-	253.08750858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.