CID 61699281

2-chloro-3-propoxypyrazine

Structural Information

Molecular Formula

C₇H₉ClN₂O

SMILES

CCCOC1=NC=CN=C1Cl

InChI

InChI=1S/C7H9ClN2O/c1-2-5-11-7-6(8)9-3-4-10-7/h3-4H,2,5H2,1H3

InChIKey

RJNVABIKMZSGDE-UHFFFAOYSA-N

Compound name

2-chloro-3-propoxypyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.04034 Da
Monoisotopic Mass: 1.9
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]+	173.047616	131.7
[M+Na]+	195.029558	141.6
[M-H]-	171.033064	132.5
[M+NH4]+	190.074163	150.4
[M+K]+	211.003498	138.6
[M+H-H2O]+	155.037600	125.1
[M+HCOO]-	217.038541	149.8
[M+CH3COO]-	231.054191	177.7
[M+Na-2H]-	193.015006	139.9
[M]+	172.03979142	135.4
[M]-	172.04088858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.