CID 1275982

Einecs 213-722-8

Structural Information

Molecular Formula
C4H5N3OS
SMILES
C1C(=NC(=S)NC1=O)N
InChI
InChI=1S/C4H5N3OS/c5-2-1-3(8)7-4(9)6-2/h1H2,(H3,5,6,7,8,9)
InChIKey
MXSAOUYLOGZLEQ-UHFFFAOYSA-N
Compound name
6-amino-2-sulfanylidene-5H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.01534 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02262 126.9
[M+Na]+ 166.00456 137.2
[M+NH4]+ 161.04916 134.3
[M+K]+ 181.97850 130.8
[M-H]- 142.00806 127.2
[M+Na-2H]- 163.99001 130.7
[M]+ 143.01479 128.5
[M]- 143.01589 128.5
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.