CID 3034688

1076-72-8

Structural Information

Molecular Formula
C8H14N2OS
SMILES
CC(C)CC1C(=O)N(C(=S)N1)C
InChI
InChI=1S/C8H14N2OS/c1-5(2)4-6-7(11)10(3)8(12)9-6/h5-6H,4H2,1-3H3,(H,9,12)
InChIKey
HUATVCMZVINTLH-UHFFFAOYSA-N
Compound name
3-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.08269 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08997 141.2
[M+Na]+ 209.07191 149.9
[M-H]- 185.07541 141.3
[M+NH4]+ 204.11651 160.7
[M+K]+ 225.04585 146.8
[M+H-H2O]+ 169.07995 135.7
[M+HCOO]- 231.08089 154.1
[M+CH3COO]- 245.09654 180.3
[M+Na-2H]- 207.05736 138.4
[M]+ 186.08214 140.7
[M]- 186.08324 140.7
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

patents stripe