CID 18331317

Ethyl 3-(2-chloropyridin-3-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
CCOC(=O)CC(=O)C1=C(N=CC=C1)Cl
InChI
InChI=1S/C10H10ClNO3/c1-2-15-9(14)6-8(13)7-4-3-5-12-10(7)11/h3-5H,2,6H2,1H3
InChIKey
MOOVARASKMIIJY-UHFFFAOYSA-N
Compound name
ethyl 3-(2-chloro-3-pyridinyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

227.03493 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.042206 144.3
[M+Na]+ 250.024148 153.1
[M-H]- 226.027654 146.7
[M+NH4]+ 245.068753 162.0
[M+K]+ 265.998088 150.2
[M+H-H2O]+ 210.032190 138.4
[M+HCOO]- 272.033131 161.9
[M+CH3COO]- 286.048781 187.2
[M+Na-2H]- 248.009596 148.7
[M]+ 227.03438142 149.1
[M]- 227.03547858 149.1
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