CID 3539349

4-oxo-1,4-dihydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H6N2O
SMILES
C1=CC=C2C(=C1)C(=O)C(=CN2)C#N
InChI
InChI=1S/C10H6N2O/c11-5-7-6-12-9-4-2-1-3-8(9)10(7)13/h1-4,6H,(H,12,13)
InChIKey
RBNLMAXLHADNEU-UHFFFAOYSA-N
Compound name
4-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

170.04802 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05530 136.4
[M+Na]+ 193.03724 148.6
[M-H]- 169.04074 138.1
[M+NH4]+ 188.08184 154.0
[M+K]+ 209.01118 142.6
[M+H-H2O]+ 153.04528 123.7
[M+HCOO]- 215.04622 154.5
[M+CH3COO]- 229.06187 148.4
[M+Na-2H]- 191.02269 144.4
[M]+ 170.04747 130.4
[M]- 170.04857 130.4
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