CID 21419025

57796-66-4

Structural Information

Molecular Formula

C₈H₉ClN₂O₂

SMILES

CC1=C(N=C(C(=N1)C(=O)OC)Cl)C

InChI

InChI=1S/C8H9ClN2O2/c1-4-5(2)11-7(9)6(10-4)8(12)13-3/h1-3H3

InChIKey

ZMEHVCWAKDWCHV-UHFFFAOYSA-N

Compound name

methyl 3-chloro-5,6-dimethylpyrazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 200.03525 Da
Monoisotopic Mass: 1.7
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]+	201.042526	137.1
[M+Na]+	223.024468	148.6
[M-H]-	199.027974	138.9
[M+NH4]+	218.069073	155.3
[M+K]+	238.998408	145.7
[M+H-H2O]+	183.032510	131.1
[M+HCOO]-	245.033451	154.5
[M+CH3COO]-	259.049101	184.3
[M+Na-2H]-	221.009916	142.3
[M]+	200.03470142	142.2
[M]-	200.03579858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe