CID 603563

4-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H8N2O
SMILES
CC1=C(C(=O)NC2=CC=CC=C12)C#N
InChI
InChI=1S/C11H8N2O/c1-7-8-4-2-3-5-10(8)13-11(14)9(7)6-12/h2-5H,1H3,(H,13,14)
InChIKey
XNWOEPJJGKULBS-UHFFFAOYSA-N
Compound name
4-methyl-2-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

184.06366 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 141.0
[M+Na]+ 207.05288 155.2
[M+NH4]+ 202.09748 146.2
[M+K]+ 223.02682 144.9
[M-H]- 183.05638 135.9
[M+Na-2H]- 205.03833 145.3
[M]+ 184.06311 140.8
[M]- 184.06421 140.8
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