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]+ 216.04221 140.5
[M+Na]+ 238.02415 150.4
[M-H]- 214.02765 141.9
[M+NH4]+ 233.06875 158.4
[M+K]+ 253.99809 146.4
[M+H-H2O]+ 198.03219 135.2
[M+HCOO]- 260.03313 157.8
[M+CH3COO]- 274.04878 182.1
[M+Na-2H]- 236.00960 145.3
[M]+ 215.03438 144.0
[M]- 215.03548 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.