CID 4466144

Nsc-56904

Structural Information

Molecular Formula
C5H8N2OS
SMILES
CN1CCC(=O)NC1=S
InChI
InChI=1S/C5H8N2OS/c1-7-3-2-4(8)6-5(7)9/h2-3H2,1H3,(H,6,8,9)
InChIKey
HFWHSXCCKCIEHZ-UHFFFAOYSA-N
Compound name
1-methyl-2-sulfanylidene-1,3-diazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

144.03574 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04302 129.9
[M+Na]+ 167.02496 140.6
[M+NH4]+ 162.06956 137.7
[M+K]+ 182.99890 133.4
[M-H]- 143.02846 129.9
[M+Na-2H]- 165.01041 133.2
[M]+ 144.03519 131.6
[M]- 144.03629 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.