CID 15185779

Methyl 2-(2-chloroquinolin-4-yl)acetate

Structural Information

Molecular Formula
C12H10ClNO2
SMILES
COC(=O)CC1=CC(=NC2=CC=CC=C21)Cl
InChI
InChI=1S/C12H10ClNO2/c1-16-12(15)7-8-6-11(13)14-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3
InChIKey
DEKMOGNNUXUIIW-UHFFFAOYSA-N
Compound name
methyl 2-(2-chloroquinolin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

235.04001 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.04729 147.2
[M+Na]+ 258.02923 157.4
[M-H]- 234.03273 150.6
[M+NH4]+ 253.07383 165.9
[M+K]+ 274.00317 153.0
[M+H-H2O]+ 218.03727 140.9
[M+HCOO]- 280.03821 164.4
[M+CH3COO]- 294.05386 189.9
[M+Na-2H]- 256.01468 154.1
[M]+ 235.03946 151.8
[M]- 235.04056 151.8
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