CID 171434

55316-22-8

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

C1CSC(=O)C1NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C10H10N2O2S/c13-9(7-2-1-4-11-6-7)12-8-3-5-15-10(8)14/h1-2,4,6,8H,3,5H2,(H,12,13)

InChIKey

SGHZROXWLFSFNB-UHFFFAOYSA-N

Compound name

N-(2-oxothiolan-3-yl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 75
Patents: 222.0463 Da
Monoisotopic Mass: 0.2
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]+	223.053576	147.1
[M+Na]+	245.035518	154.2
[M-H]-	221.039024	152.7
[M+NH4]+	240.080123	165.9
[M+K]+	261.009458	151.2
[M+H-H2O]+	205.043560	140.1
[M+HCOO]-	267.044501	165.3
[M+CH3COO]-	281.060151	185.5
[M+Na-2H]-	243.020966	148.5
[M]+	222.04575142	146.2
[M]-	222.04684858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe