CID 43542

61076-84-4

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
COC(=O)N1CCN=C1SCC=C
InChI
InChI=1S/C8H12N2O2S/c1-3-6-13-7-9-4-5-10(7)8(11)12-2/h3H,1,4-6H2,2H3
InChIKey
OPCDKHZQXSNOBB-UHFFFAOYSA-N
Compound name
methyl 2-prop-2-enylsulfanyl-4,5-dihydroimidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.069226 143.8
[M+Na]+ 223.051168 152.4
[M-H]- 199.054674 145.1
[M+NH4]+ 218.095773 163.1
[M+K]+ 239.025108 150.5
[M+H-H2O]+ 183.059210 137.3
[M+HCOO]- 245.060151 160.1
[M+CH3COO]- 259.075801 180.2
[M+Na-2H]- 221.036616 143.7
[M]+ 200.06140142 147.0
[M]- 200.06249858 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.