CID 3071821

Dihydro-5-(4-chlorophenyl)-3-((1-methylethyl)amino)-2(3h)-furanone hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₆ClNO₂

SMILES

CC(C)NC1CC(OC1=O)C2=CC=C(C=C2)Cl

InChI

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

InChIKey

MTRCRMITYMONTC-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.08696 Da
Monoisotopic Mass: 2.8
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]+	254.094236	158.2
[M+Na]+	276.076178	165.8
[M-H]-	252.079684	165.6
[M+NH4]+	271.120783	176.5
[M+K]+	292.050118	162.5
[M+H-H2O]+	236.084220	152.6
[M+HCOO]-	298.085161	175.8
[M+CH3COO]-	312.100811	195.8
[M+Na-2H]-	274.061626	159.6
[M]+	253.08641142	159.5
[M]-	253.08750858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.