CID 825326

56304-76-8

Structural Information

Molecular Formula

C₁₀H₆N₂OS

SMILES

C1=CSC(=C1)C2=CC=C(C(=O)N2)C#N

InChI

InChI=1S/C10H6N2OS/c11-6-7-3-4-8(12-10(7)13)9-2-1-5-14-9/h1-5H,(H,12,13)

InChIKey

JTXFPILITXFNSM-UHFFFAOYSA-N

Compound name

2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 202.02008 Da
Monoisotopic Mass: 1.5
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]+	203.02736	139.1
[M+Na]+	225.00930	151.9
[M+NH4]+	220.05390	144.4
[M+K]+	240.98324	142.2
[M-H]-	201.01280	134.8
[M+Na-2H]-	222.99475	144.1
[M]+	202.01953	139.3
[M]-	202.02063	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe