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]+ 137.03793 124.3
[M+Na]+ 159.01987 132.4
[M-H]- 135.02337 126.2
[M+NH4]+ 154.06447 146.4
[M+K]+ 174.99381 131.8
[M+H-H2O]+ 119.02791 119.3
[M+HCOO]- 181.02885 144.7
[M+CH3COO]- 195.04450 174.6
[M+Na-2H]- 157.00532 128.8
[M]+ 136.03010 125.1
[M]- 136.03120 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