CID 100931

Pyrazine, [[(2-furanylmethyl)thio]methyl]-

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

C1=COC(=C1)CSCC2=NC=CN=C2

InChI

InChI=1S/C10H10N2OS/c1-2-10(13-5-1)8-14-7-9-6-11-3-4-12-9/h1-6H,7-8H2

InChIKey

RVAGIRWUMWXFKJ-UHFFFAOYSA-N

Compound name

2-(furan-2-ylmethylsulfanylmethyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21
Patents: 206.05139 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]+	207.05867	141.1
[M+Na]+	229.04061	150.6
[M-H]-	205.04411	146.3
[M+NH4]+	224.08521	158.6
[M+K]+	245.01455	148.4
[M+H-H2O]+	189.04865	133.7
[M+HCOO]-	251.04959	159.7
[M+CH3COO]-	265.06524	154.6
[M+Na-2H]-	227.02606	145.9
[M]+	206.05084	144.9
[M]-	206.05194	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe