CID 72217905

1393540-37-8

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
CCOC(=O)CC1=CNC(=O)C(=C1)Cl
InChI
InChI=1S/C9H10ClNO3/c1-2-14-8(12)4-6-3-7(10)9(13)11-5-6/h3,5H,2,4H2,1H3,(H,11,13)
InChIKey
LNZDOFIQSPXDGH-UHFFFAOYSA-N
Compound name
ethyl 2-(5-chloro-6-oxo-1H-pyridin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03493 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.042206 140.5
[M+Na]+ 238.024148 150.4
[M-H]- 214.027654 141.9
[M+NH4]+ 233.068753 158.4
[M+K]+ 253.998088 146.4
[M+H-H2O]+ 198.032190 135.2
[M+HCOO]- 260.033131 157.8
[M+CH3COO]- 274.048781 182.1
[M+Na-2H]- 236.009596 145.3
[M]+ 215.03438142 144.0
[M]- 215.03547858 144.0
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

No patent data available for this compound.