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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02736 148.4
[M+Na]+ 225.00930 161.2
[M-H]- 201.01280 152.9
[M+NH4]+ 220.05390 166.2
[M+K]+ 240.98324 155.5
[M+H-H2O]+ 185.01734 135.5
[M+HCOO]- 247.01828 163.9
[M+CH3COO]- 261.03393 160.4
[M+Na-2H]- 222.99475 150.2
[M]+ 202.01953 144.2
[M]- 202.02063 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe