CID 12605330

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

Structural Information

Molecular Formula
C4H7N3OS
SMILES
CC(=O)N1CSC(=N1)N
InChI
InChI=1S/C4H7N3OS/c1-3(8)7-2-9-4(5)6-7/h2H2,1H3,(H2,5,6)
InChIKey
UZFFALRETNPGBN-UHFFFAOYSA-N
Compound name
1-(5-amino-2H-1,3,4-thiadiazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.03099 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03827 127.5
[M+Na]+ 168.02021 136.5
[M-H]- 144.02371 128.7
[M+NH4]+ 163.06481 148.3
[M+K]+ 183.99415 135.2
[M+H-H2O]+ 128.02825 121.2
[M+HCOO]- 190.02919 144.9
[M+CH3COO]- 204.04484 172.5
[M+Na-2H]- 166.00566 128.9
[M]+ 145.03044 126.8
[M]- 145.03154 126.8
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

No patent data available for this compound.