CID 137951440

Ethyl 2-(6-chloro-5-methylpyridin-3-yl)-2-oxoacetate

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
CCOC(=O)C(=O)C1=CN=C(C(=C1)C)Cl
InChI
InChI=1S/C10H10ClNO3/c1-3-15-10(14)8(13)7-4-6(2)9(11)12-5-7/h4-5H,3H2,1-2H3
InChIKey
RKSLWAHJLFLJPY-UHFFFAOYSA-N
Compound name
ethyl 2-(6-chloro-5-methylpyridin-3-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03493 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04221 143.5
[M+Na]+ 250.02415 153.1
[M-H]- 226.02765 146.3
[M+NH4]+ 245.06875 161.5
[M+K]+ 265.99809 150.3
[M+H-H2O]+ 210.03219 137.9
[M+HCOO]- 272.03313 161.0
[M+CH3COO]- 286.04878 188.4
[M+Na-2H]- 248.00960 147.2
[M]+ 227.03438 148.7
[M]- 227.03548 148.7
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.