CID 53419385

914360-82-0

Structural Information

Molecular Formula

C₈H₉ClN₂O₂

SMILES

CCOC(=O)CC1=NC=CN=C1Cl

InChI

InChI=1S/C8H9ClN2O2/c1-2-13-7(12)5-6-8(9)11-4-3-10-6/h3-4H,2,5H2,1H3

InChIKey

NIARWAKHCDJUDZ-UHFFFAOYSA-N

Compound name

ethyl 2-(3-chloropyrazin-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 200.03525 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	201.04253	138.1
[M+Na]+	223.02447	147.6
[M-H]-	199.02797	139.0
[M+NH4]+	218.06907	155.6
[M+K]+	238.99841	144.7
[M+H-H2O]+	183.03251	131.4
[M+HCOO]-	245.03345	155.4
[M+CH3COO]-	259.04910	182.0
[M+Na-2H]-	221.00992	144.6
[M]+	200.03470	142.3
[M]-	200.03580	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe