CID 285717

Methyl 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C12H10N2O2
SMILES
COC(=O)N1C(C=CC2=CC=CC=C21)C#N
InChI
InChI=1S/C12H10N2O2/c1-16-12(15)14-10(8-13)7-6-9-4-2-3-5-11(9)14/h2-7,10H,1H3
InChIKey
XVEFIJORXXTITB-UHFFFAOYSA-N
Compound name
methyl 2-cyano-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

214.07423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 146.9
[M+Na]+ 237.06345 157.5
[M-H]- 213.06695 149.3
[M+NH4]+ 232.10805 163.4
[M+K]+ 253.03739 153.0
[M+H-H2O]+ 197.07149 133.5
[M+HCOO]- 259.07243 163.8
[M+CH3COO]- 273.08808 198.6
[M+Na-2H]- 235.04890 152.5
[M]+ 214.07368 142.5
[M]- 214.07478 142.5
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

No patent data available for this compound.