CID 221779

2-amino-5-methyl-1,3-thiazol-4(5h)-one

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]+ 131.02736 122.4
[M+Na]+ 153.00930 132.5
[M-H]- 129.01280 125.3
[M+NH4]+ 148.05390 145.4
[M+K]+ 168.98324 130.7
[M+H-H2O]+ 113.01734 117.1
[M+HCOO]- 175.01828 142.0
[M+CH3COO]- 189.03393 170.6
[M+Na-2H]- 150.99475 124.3
[M]+ 130.01953 122.3
[M]- 130.02063 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.