CID 4340508

2,3-dihydro-1,2,5-thiadiazol-3-one

Structural Information

Molecular Formula
C2H2N2OS
SMILES
C1=NSNC1=O
InChI
InChI=1S/C2H2N2OS/c5-2-1-3-6-4-2/h1H,(H,4,5)
InChIKey
MUHCEAIVGKVBHE-UHFFFAOYSA-N
Compound name
1,2,5-thiadiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

516
Patents

101.988785 Da
Monoisotopic Mass

-0.1
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