CID 57618409

1-(5-methyl-1,3,4-thiadiazol-2-yl)ethan-1-one

Structural Information

Molecular Formula
C5H6N2OS
SMILES
CC1=NN=C(S1)C(=O)C
InChI
InChI=1S/C5H6N2OS/c1-3(8)5-7-6-4(2)9-5/h1-2H3
InChIKey
BRYGWOHSRODZKA-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

142.02008 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02736 125.5
[M+Na]+ 165.00930 136.0
[M-H]- 141.01280 127.6
[M+NH4]+ 160.05390 147.1
[M+K]+ 180.98324 134.8
[M+H-H2O]+ 125.01734 119.5
[M+HCOO]- 187.01828 143.7
[M+CH3COO]- 201.03393 171.7
[M+Na-2H]- 162.99475 127.8
[M]+ 142.01953 128.5
[M]- 142.02063 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