CID 21458498

185445-04-9

Structural Information

Molecular Formula
C4H4N2OS
SMILES
CC(=O)C1=NSC=N1
InChI
InChI=1S/C4H4N2OS/c1-3(7)4-5-2-8-6-4/h2H,1H3
InChIKey
WMKBDRZQQGDZJV-UHFFFAOYSA-N
Compound name
1-(1,2,4-thiadiazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

128.00444 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01172 123.7
[M+Na]+ 150.99366 134.9
[M+NH4]+ 146.03826 132.1
[M+K]+ 166.96760 129.7
[M-H]- 126.99716 123.9
[M+Na-2H]- 148.97911 128.8
[M]+ 128.00389 125.6
[M]- 128.00499 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe