CID 57362689

Methyl 2-aminoquinoline-6-carboxylate

Structural Information

Molecular Formula
C11H10N2O2
SMILES
COC(=O)C1=CC2=C(C=C1)N=C(C=C2)N
InChI
InChI=1S/C11H10N2O2/c1-15-11(14)8-2-4-9-7(6-8)3-5-10(12)13-9/h2-6H,1H3,(H2,12,13)
InChIKey
REOVIXBUPMUOIO-UHFFFAOYSA-N
Compound name
methyl 2-aminoquinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

202.07423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 141.7
[M+Na]+ 225.06345 150.7
[M-H]- 201.06695 144.9
[M+NH4]+ 220.10805 160.2
[M+K]+ 241.03739 147.9
[M+H-H2O]+ 185.07149 134.7
[M+HCOO]- 247.07243 164.3
[M+CH3COO]- 261.08808 187.4
[M+Na-2H]- 223.04890 148.9
[M]+ 202.07368 142.1
[M]- 202.07478 142.1
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