CID 1275976

626-08-4

Structural Information

Molecular Formula
C3H3N3OS
SMILES
C1=NNC(=S)NC1=O
InChI
InChI=1S/C3H3N3OS/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)
InChIKey
HZPZCLDCTLLJTF-UHFFFAOYSA-N
Compound name
3-sulfanylidene-2H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

135
Patents

128.99968 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.00696 120.2
[M+Na]+ 151.98890 131.3
[M-H]- 127.99240 118.1
[M+NH4]+ 147.03350 137.7
[M+K]+ 167.96284 126.6
[M+H-H2O]+ 111.99694 114.1
[M+HCOO]- 173.99788 135.1
[M+CH3COO]- 188.01353 161.7
[M+Na-2H]- 149.97435 126.1
[M]+ 128.99913 118.2
[M]- 129.00023 118.2
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

patents stripe