CID 465437

Chembl339964

Structural Information

Molecular Formula

C₈H₇ClN₂O₂

SMILES

C=CCOC(=O)C1=CN=C(C=N1)Cl

InChI

InChI=1S/C8H7ClN2O2/c1-2-3-13-8(12)6-4-11-7(9)5-10-6/h2,4-5H,1,3H2

InChIKey

QIFJXGWOBHYSGL-UHFFFAOYSA-N

Compound name

prop-2-enyl 5-chloropyrazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 198.0196 Da
Monoisotopic Mass: 1.1
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]+	199.02688	136.9
[M+Na]+	221.00882	146.7
[M-H]-	197.01232	137.9
[M+NH4]+	216.05342	154.4
[M+K]+	236.98276	143.3
[M+H-H2O]+	181.01686	130.3
[M+HCOO]-	243.01780	154.4
[M+CH3COO]-	257.03345	181.1
[M+Na-2H]-	218.99427	143.5
[M]+	198.01905	140.4
[M]-	198.02015	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.