CID 2747088

56304-75-7

Structural Information

Molecular Formula
C10H6N2O2
SMILES
C1=COC(=C1)C2=CC=C(C(=O)N2)C#N
InChI
InChI=1S/C10H6N2O2/c11-6-7-3-4-8(12-10(7)13)9-2-1-5-14-9/h1-5H,(H,12,13)
InChIKey
PQKKNEIVRPZRNA-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

186.04292 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05020 138.3
[M+Na]+ 209.03214 150.2
[M-H]- 185.03564 142.2
[M+NH4]+ 204.07674 154.4
[M+K]+ 225.00608 146.2
[M+H-H2O]+ 169.04018 124.6
[M+HCOO]- 231.04112 157.8
[M+CH3COO]- 245.05677 150.6
[M+Na-2H]- 207.01759 144.0
[M]+ 186.04237 133.5
[M]- 186.04347 133.5
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