CID 7131313

1-(5-amino-3-methylisothiazol-4-yl)ethanone

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CC1=NSC(=C1C(=O)C)N
InChI
InChI=1S/C6H8N2OS/c1-3-5(4(2)9)6(7)10-8-3/h7H2,1-2H3
InChIKey
ZRTVPUDCMVBHEL-UHFFFAOYSA-N
Compound name
1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.03574 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 132.1
[M+Na]+ 179.02496 142.1
[M+NH4]+ 174.06956 140.3
[M+K]+ 194.99890 137.4
[M-H]- 155.02846 133.2
[M+Na-2H]- 177.01041 136.0
[M]+ 156.03519 134.0
[M]- 156.03629 134.0
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.