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

3
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 128.2
[M+Na]+ 165.00930 139.5
[M+NH4]+ 160.05390 136.4
[M+K]+ 180.98324 134.4
[M-H]- 141.01280 128.4
[M+Na-2H]- 162.99475 132.8
[M]+ 142.01953 130.2
[M]- 142.02063 130.2
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