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]+ 199.08997 144.6
[M+Na]+ 221.07191 153.4
[M-H]- 197.07541 144.3
[M+NH4]+ 216.11651 163.5
[M+K]+ 237.04585 148.9
[M+H-H2O]+ 181.07995 138.7
[M+HCOO]- 243.08089 158.4
[M+CH3COO]- 257.09654 181.6
[M+Na-2H]- 219.05736 142.3
[M]+ 198.08214 144.3
[M]- 198.08324 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.