CID 1479091

Ethyl 4-chloro-6-methylquinoline-3-carboxylate

Structural Information

Molecular Formula
C13H12ClNO2
SMILES
CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)C
InChI
InChI=1S/C13H12ClNO2/c1-3-17-13(16)10-7-15-11-5-4-8(2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
InChIKey
GSIDXMVQPNWNIR-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6-methylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

249.05565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06293 151.6
[M+Na]+ 272.04487 162.3
[M-H]- 248.04837 155.2
[M+NH4]+ 267.08947 170.1
[M+K]+ 288.01881 157.8
[M+H-H2O]+ 232.05291 145.4
[M+HCOO]- 294.05385 168.5
[M+CH3COO]- 308.06950 194.0
[M+Na-2H]- 270.03032 157.2
[M]+ 249.05510 156.9
[M]- 249.05620 156.9
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