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

6
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 121.5
[M+Na]+ 150.99366 131.6
[M-H]- 126.99716 123.4
[M+NH4]+ 146.03826 143.4
[M+K]+ 166.96760 130.8
[M+H-H2O]+ 111.00170 115.4
[M+HCOO]- 173.00264 140.1
[M+CH3COO]- 187.01829 167.6
[M+Na-2H]- 148.97911 125.0
[M]+ 128.00389 123.8
[M]- 128.00499 123.8
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