CID 55291577

[dimethyl(oxo)-lambda6-sulfanylidene]urea

Structural Information

Molecular Formula
C3H8N2O2S
SMILES
CS(=NC(=O)N)(=O)C
InChI
InChI=1S/C3H8N2O2S/c1-8(2,7)5-3(4)6/h1-2H3,(H2,4,6)
InChIKey
RKHYGLCRVCMTPG-UHFFFAOYSA-N
Compound name
[dimethyl(oxo)-lambda6-sulfanylidene]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

136.03065 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.037926 124.3
[M+Na]+ 159.019868 132.4
[M-H]- 135.023374 126.2
[M+NH4]+ 154.064473 146.4
[M+K]+ 174.993808 131.8
[M+H-H2O]+ 119.027910 119.3
[M+HCOO]- 181.028851 144.7
[M+CH3COO]- 195.044501 174.6
[M+Na-2H]- 157.005316 128.8
[M]+ 136.03010142 125.1
[M]- 136.03119858 125.1
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