CID 12816273

1,3,4-thiadiazol-2-ol

Structural Information

Molecular Formula
C2H2N2OS
SMILES
C1=NNC(=O)S1
InChI
InChI=1S/C2H2N2OS/c5-2-4-3-1-6-2/h1H,(H,4,5)
InChIKey
OVZHELCFKSFINS-UHFFFAOYSA-N
Compound name
3H-1,3,4-thiadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

625
Patents

101.988785 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.99606 113.2
[M+Na]+ 124.97800 124.0
[M-H]- 100.98151 113.8
[M+NH4]+ 120.02261 135.5
[M+K]+ 140.95194 122.2
[M+H-H2O]+ 84.986045 107.6
[M+HCOO]- 146.98699 131.9
[M+CH3COO]- 161.00264 158.2
[M+Na-2H]- 122.96345 118.2
[M]+ 101.98824 113.4
[M]- 101.98933 113.4
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