CID 20526161

3-chloro-1-ethyl-1,2-dihydropyrazin-2-one

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

CCN1C=CN=C(C1=O)Cl

InChI

InChI=1S/C6H7ClN2O/c1-2-9-4-3-8-5(7)6(9)10/h3-4H,2H2,1H3

InChIKey

DOJHQENGHOKCAX-UHFFFAOYSA-N

Compound name

3-chloro-1-ethylpyrazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 158.02469 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]+	159.031966	126.0
[M+Na]+	181.013908	137.6
[M-H]-	157.017414	127.5
[M+NH4]+	176.058513	145.7
[M+K]+	196.987848	134.3
[M+H-H2O]+	141.021950	120.1
[M+HCOO]-	203.022891	144.7
[M+CH3COO]-	217.038541	175.0
[M+Na-2H]-	178.999356	134.1
[M]+	158.02414142	129.1
[M]-	158.02523858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe