CID 653344

257862-97-8

Structural Information

Molecular Formula
C6H9N3OS
SMILES
CC(=O)CC1=NSC(=N1)NC
InChI
InChI=1S/C6H9N3OS/c1-4(10)3-5-8-6(7-2)11-9-5/h3H2,1-2H3,(H,7,8,9)
InChIKey
OAGMZNVAKMLSPP-UHFFFAOYSA-N
Compound name
1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

171.04663 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05391 134.1
[M+Na]+ 194.03585 143.2
[M-H]- 170.03935 135.8
[M+NH4]+ 189.08045 154.1
[M+K]+ 210.00979 141.5
[M+H-H2O]+ 154.04389 127.3
[M+HCOO]- 216.04483 152.9
[M+CH3COO]- 230.06048 179.5
[M+Na-2H]- 192.02130 136.5
[M]+ 171.04608 136.6
[M]- 171.04718 136.6
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.