CID 2759241

164352-93-6

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1=COC(=C1)CSC2=NC=CN=C2
InChI
InChI=1S/C9H8N2OS/c1-2-8(12-5-1)7-13-9-6-10-3-4-11-9/h1-6H,7H2
InChIKey
VICVSKQFQDAHAD-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethylsulfanyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

192.03574 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.043016 136.6
[M+Na]+ 215.024958 146.6
[M-H]- 191.028464 142.0
[M+NH4]+ 210.069563 154.7
[M+K]+ 230.998898 144.6
[M+H-H2O]+ 175.033000 129.4
[M+HCOO]- 237.033941 155.6
[M+CH3COO]- 251.049591 150.6
[M+Na-2H]- 213.010406 142.0
[M]+ 192.03519142 140.1
[M]- 192.03628858 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe