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

12
Patents

200.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06586 142.8
[M+Na]+ 223.04780 155.2
[M-H]- 199.05130 144.6
[M+NH4]+ 218.09240 159.5
[M+K]+ 239.02174 149.7
[M+H-H2O]+ 183.05584 129.9
[M+HCOO]- 245.05678 160.8
[M+CH3COO]- 259.07243 194.9
[M+Na-2H]- 221.03325 149.7
[M]+ 200.05803 138.7
[M]- 200.05913 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