CID 75422083

Ethyl 2-(3-chloropyridin-4-yl)acetate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.04001 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 139.2
[M+Na]+ 222.02923 152.9
[M+NH4]+ 217.07383 147.3
[M+K]+ 238.00317 146.2
[M-H]- 198.03273 140.3
[M+Na-2H]- 220.01468 146.1
[M]+ 199.03946 141.7
[M]- 199.04056 141.7
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.