CID 288743

40448-92-8

Structural Information

Molecular Formula
C13H12N2O3
SMILES
COC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)OC
InChI
InChI=1S/C13H12N2O3/c1-17-11-5-6-12-9(7-11)3-4-10(8-14)15(12)13(16)18-2/h3-7,10H,1-2H3
InChIKey
UALWQVCLEBEYTK-UHFFFAOYSA-N
Compound name
methyl 2-cyano-6-methoxy-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

244.0848 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 152.9
[M+Na]+ 267.07402 163.7
[M-H]- 243.07752 155.5
[M+NH4]+ 262.11862 168.5
[M+K]+ 283.04796 159.8
[M+H-H2O]+ 227.08206 139.4
[M+HCOO]- 289.08300 169.7
[M+CH3COO]- 303.09865 204.3
[M+Na-2H]- 265.05947 157.5
[M]+ 244.08425 150.4
[M]- 244.08535 150.4
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

No patent data available for this compound.