CID 465034

169335-49-3

Structural Information

Molecular Formula

C₉H₁₁ClN₂O₂

SMILES

CC(C)COC(=O)C1=CN=C(C=N1)Cl

InChI

InChI=1S/C9H11ClN2O2/c1-6(2)5-14-9(13)7-3-12-8(10)4-11-7/h3-4,6H,5H2,1-2H3

InChIKey

OFWXMCXGANWSRI-UHFFFAOYSA-N

Compound name

2-methylpropyl 5-chloropyrazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 214.0509 Da
Monoisotopic Mass: 1.8
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]+	215.05818	142.3
[M+Na]+	237.04012	151.2
[M-H]-	213.04362	143.3
[M+NH4]+	232.08472	159.2
[M+K]+	253.01406	148.5
[M+H-H2O]+	197.04816	135.6
[M+HCOO]-	259.04910	158.4
[M+CH3COO]-	273.06475	185.8
[M+Na-2H]-	235.02557	147.2
[M]+	214.05035	146.4
[M]-	214.05145	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe