CID 537884

40757-61-7

Structural Information

Molecular Formula
C5H6N2OS
SMILES
CC1=C(N=NS1)C(=O)C
InChI
InChI=1S/C5H6N2OS/c1-3(8)5-4(2)9-7-6-5/h1-2H3
InChIKey
PYTOVLLPUXTXQA-UHFFFAOYSA-N
Compound name
1-(5-methylthiadiazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

literature stripe

Patent stripe

patents stripe