CID 68227243

8-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1CC2=C(C(=O)C1)N=CC(=C2)C#N
InChI
InChI=1S/C10H8N2O/c11-5-7-4-8-2-1-3-9(13)10(8)12-6-7/h4,6H,1-3H2
InChIKey
WGTJAMHKBUZARV-UHFFFAOYSA-N
Compound name
8-oxo-6,7-dihydro-5H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

172.06366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 134.9
[M+Na]+ 195.05288 145.7
[M-H]- 171.05638 137.4
[M+NH4]+ 190.09748 153.0
[M+K]+ 211.02682 140.7
[M+H-H2O]+ 155.06092 122.0
[M+HCOO]- 217.06186 151.9
[M+CH3COO]- 231.07751 192.1
[M+Na-2H]- 193.03833 141.9
[M]+ 172.06311 128.1
[M]- 172.06421 128.1
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