CID 21933492

88349-90-0

Structural Information

Molecular Formula
C13H12ClNO3
SMILES
CCOC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2
InChI
InChI=1S/C13H12ClNO3/c1-2-17-12(16)8-18-11-6-5-10(14)9-4-3-7-15-13(9)11/h3-7H,2,8H2,1H3
InChIKey
JEMXUSHXYOXNFL-UHFFFAOYSA-N
Compound name
ethyl 2-(5-chloroquinolin-8-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1372
Patents

265.05057 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05785 154.9
[M+Na]+ 288.03979 169.7
[M+NH4]+ 283.08439 163.1
[M+K]+ 304.01373 162.2
[M-H]- 264.04329 156.7
[M+Na-2H]- 286.02524 161.6
[M]+ 265.05002 157.8
[M]- 265.05112 157.8
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

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