CID 14509443

123990-79-4

Structural Information

Molecular Formula
C11H8N2O2
SMILES
COC1=CC2=C(C=C1)NC(=O)C(=C2)C#N
InChI
InChI=1S/C11H8N2O2/c1-15-9-2-3-10-7(5-9)4-8(6-12)11(14)13-10/h2-5H,1H3,(H,13,14)
InChIKey
YGUXGTBWQYMRDL-UHFFFAOYSA-N
Compound name
6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

200.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.065856 142.8
[M+Na]+ 223.047798 155.2
[M-H]- 199.051304 144.6
[M+NH4]+ 218.092403 159.5
[M+K]+ 239.021738 149.7
[M+H-H2O]+ 183.055840 129.9
[M+HCOO]- 245.056781 160.8
[M+CH3COO]- 259.072431 194.9
[M+Na-2H]- 221.033246 149.7
[M]+ 200.05803142 138.7
[M]- 200.05912858 138.7
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