CID 11298404

Methyl cinnoline-6-carboxylate

Structural Information

Molecular Formula
C10H8N2O2
SMILES
COC(=O)C1=CC2=C(C=C1)N=NC=C2
InChI
InChI=1S/C10H8N2O2/c1-14-10(13)8-2-3-9-7(6-8)4-5-11-12-9/h2-6H,1H3
InChIKey
JMLKGGQGRGKUFU-UHFFFAOYSA-N
Compound name
methyl cinnoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

188.05858 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 137.4
[M+Na]+ 211.04780 146.8
[M-H]- 187.05130 139.5
[M+NH4]+ 206.09240 155.4
[M+K]+ 227.02174 144.4
[M+H-H2O]+ 171.05584 129.7
[M+HCOO]- 233.05678 158.5
[M+CH3COO]- 247.07243 181.7
[M+Na-2H]- 209.03325 146.6
[M]+ 188.05803 139.3
[M]- 188.05913 139.3
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