CID 13060074

57332-70-4

Structural Information

Molecular Formula
C5H6N2O2S
SMILES
COC(=O)C1=CNC(=S)N1
InChI
InChI=1S/C5H6N2O2S/c1-9-4(8)3-2-6-5(10)7-3/h2H,1H3,(H2,6,7,10)
InChIKey
FXKGUEKEBDCIKU-UHFFFAOYSA-N
Compound name
methyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

158.015 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02228 132.2
[M+Na]+ 181.00422 141.9
[M+NH4]+ 176.04882 138.8
[M+K]+ 196.97816 137.8
[M-H]- 157.00772 130.6
[M+Na-2H]- 178.98967 135.0
[M]+ 158.01445 133.2
[M]- 158.01555 133.2
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