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]+ 201.06923 143.8
[M+Na]+ 223.05117 152.4
[M-H]- 199.05467 145.1
[M+NH4]+ 218.09577 163.1
[M+K]+ 239.02511 150.5
[M+H-H2O]+ 183.05921 137.3
[M+HCOO]- 245.06015 160.1
[M+CH3COO]- 259.07580 180.2
[M+Na-2H]- 221.03662 143.7
[M]+ 200.06140 147.0
[M]- 200.06250 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.