CID 3038117

49630-32-2

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CC1C(=O)N(C(=S)N1)CC=C
InChI
InChI=1S/C7H10N2OS/c1-3-4-9-6(10)5(2)8-7(9)11/h3,5H,1,4H2,2H3,(H,8,11)
InChIKey
SWGXBUZJLLMBHI-UHFFFAOYSA-N
Compound name
5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

40
Patents

170.05139 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05867 135.9
[M+Na]+ 193.04061 145.6
[M-H]- 169.04411 136.0
[M+NH4]+ 188.08521 156.0
[M+K]+ 209.01455 141.7
[M+H-H2O]+ 153.04865 130.5
[M+HCOO]- 215.04959 150.4
[M+CH3COO]- 229.06524 175.5
[M+Na-2H]- 191.02606 134.6
[M]+ 170.05084 134.9
[M]- 170.05194 134.9
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