CID 57709236

Ethyl 2-(2-chloropyridin-4-yl)acetate

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CCOC(=O)CC1=CC(=NC=C1)Cl
InChI
InChI=1S/C9H10ClNO2/c1-2-13-9(12)6-7-3-4-11-8(10)5-7/h3-5H,2,6H2,1H3
InChIKey
MFDZGDBPQSJAIC-UHFFFAOYSA-N
Compound name
ethyl 2-(2-chloro-4-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

199.04001 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 138.5
[M+Na]+ 222.029228 147.7
[M-H]- 198.032734 140.9
[M+NH4]+ 217.073833 157.5
[M+K]+ 238.003168 144.7
[M+H-H2O]+ 182.037270 132.7
[M+HCOO]- 244.038211 156.9
[M+CH3COO]- 258.053861 182.2
[M+Na-2H]- 220.014676 144.5
[M]+ 199.03946142 142.7
[M]- 199.04055858 142.7
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

patents stripe