CID 4962569

854137-78-3

Structural Information

Molecular Formula

C₁₁H₁₈ClNO₃S

SMILES

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CCl

InChI

InChI=1S/C11H18ClNO3S/c12-7-11(14)13(9-3-1-2-4-9)10-5-6-17(15,16)8-10/h9-10H,1-8H2

InChIKey

DEIQINIBCQYWIW-UHFFFAOYSA-N

Compound name

2-chloro-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 279.06958 Da
Monoisotopic Mass: 1.2
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]+	280.07686	165.0
[M+Na]+	302.05880	171.1
[M-H]-	278.06230	172.7
[M+NH4]+	297.10340	187.7
[M+K]+	318.03274	168.5
[M+H-H2O]+	262.06684	160.9
[M+HCOO]-	324.06778	178.0
[M+CH3COO]-	338.08343	195.0
[M+Na-2H]-	300.04425	162.2
[M]+	279.06903	166.1
[M]-	279.07013	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe