CID 3111964

1-(2-aminothiazol-4-yl)ethanone

Structural Information

Molecular Formula
C5H6N2OS
SMILES
CC(=O)C1=CSC(=N1)N
InChI
InChI=1S/C5H6N2OS/c1-3(8)4-2-9-5(6)7-4/h2H,1H3,(H2,6,7)
InChIKey
XLYLXMPLFPQUDL-UHFFFAOYSA-N
Compound name
1-(2-amino-1,3-thiazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

142.02008 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02736 127.5
[M+Na]+ 165.00930 137.4
[M+NH4]+ 160.05390 135.8
[M+K]+ 180.98324 132.7
[M-H]- 141.01280 128.6
[M+Na-2H]- 162.99475 131.9
[M]+ 142.01953 129.4
[M]- 142.02063 129.4
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