CID 23003518

231297-64-6

Structural Information

Molecular Formula
C5H6N2OS
SMILES
CC1=C(SN=N1)C(=O)C
InChI
InChI=1S/C5H6N2OS/c1-3-5(4(2)8)9-7-6-3/h1-2H3
InChIKey
YUBNLAJRDTXTQJ-UHFFFAOYSA-N
Compound name
1-(4-methylthiadiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

142.02008 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.027356 125.5
[M+Na]+ 165.009298 136.0
[M-H]- 141.012804 127.6
[M+NH4]+ 160.053903 147.1
[M+K]+ 180.983238 134.8
[M+H-H2O]+ 125.017340 119.5
[M+HCOO]- 187.018281 143.7
[M+CH3COO]- 201.033931 171.7
[M+Na-2H]- 162.994746 127.8
[M]+ 142.01953142 128.5
[M]- 142.02062858 128.5
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