CID 221779

Dtxsid40278261

Structural Information

Molecular Formula
C4H6N2OS
SMILES
CC1C(=O)N=C(S1)N
InChI
InChI=1S/C4H6N2OS/c1-2-3(7)6-4(5)8-2/h2H,1H3,(H2,5,6,7)
InChIKey
KFQICKLJAUSMRR-UHFFFAOYSA-N
Compound name
2-amino-5-methyl-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.02008 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.027356 122.4
[M+Na]+ 153.009298 132.5
[M-H]- 129.012804 125.3
[M+NH4]+ 148.053903 145.4
[M+K]+ 168.983238 130.7
[M+H-H2O]+ 113.017340 117.1
[M+HCOO]- 175.018281 142.0
[M+CH3COO]- 189.033931 170.6
[M+Na-2H]- 150.994746 124.3
[M]+ 130.01953142 122.3
[M]- 130.02062858 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.