CID 11182876

2-oxo-1,2-dihydroquinoline-6-carbonitrile

Structural Information

Molecular Formula
C10H6N2O
SMILES
C1=CC2=C(C=CC(=O)N2)C=C1C#N
InChI
InChI=1S/C10H6N2O/c11-6-7-1-3-9-8(5-7)2-4-10(13)12-9/h1-5H,(H,12,13)
InChIKey
WXORYMJWFSZLIB-UHFFFAOYSA-N
Compound name
2-oxo-1H-quinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

170.04802 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05530 137.9
[M+Na]+ 193.03724 152.0
[M+NH4]+ 188.08184 143.2
[M+K]+ 209.01118 141.7
[M-H]- 169.04074 132.8
[M+Na-2H]- 191.02269 142.6
[M]+ 170.04747 137.7
[M]- 170.04857 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe