CID 3037984

2176-92-3

Structural Information

Molecular Formula
C9H14N2OS
SMILES
CCCC1C(=O)N(C(=S)N1)CC=C
InChI
InChI=1S/C9H14N2OS/c1-3-5-7-8(12)11(6-4-2)9(13)10-7/h4,7H,2-3,5-6H2,1H3,(H,10,13)
InChIKey
QHRHHWLAZDPQDT-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-5-propyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08269 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.089966 144.6
[M+Na]+ 221.071908 153.4
[M-H]- 197.075414 144.3
[M+NH4]+ 216.116513 163.5
[M+K]+ 237.045848 148.9
[M+H-H2O]+ 181.079950 138.7
[M+HCOO]- 243.080891 158.4
[M+CH3COO]- 257.096541 181.6
[M+Na-2H]- 219.057356 142.3
[M]+ 198.08214142 144.3
[M]- 198.08323858 144.3
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.