CID 816711

39736-26-0

Structural Information

Molecular Formula
C6H8N2OS2
SMILES
CC(=O)C1=C(N=C(S1)SC)N
InChI
InChI=1S/C6H8N2OS2/c1-3(9)4-5(7)8-6(10-2)11-4/h7H2,1-2H3
InChIKey
UGESPDZKMNQVRQ-UHFFFAOYSA-N
Compound name
1-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

188.00781 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01509 135.9
[M+Na]+ 210.99703 145.8
[M-H]- 187.00053 138.5
[M+NH4]+ 206.04163 156.7
[M+K]+ 226.97097 142.2
[M+H-H2O]+ 171.00507 130.3
[M+HCOO]- 233.00601 149.3
[M+CH3COO]- 247.02166 182.1
[M+Na-2H]- 208.98248 134.5
[M]+ 188.00726 138.1
[M]- 188.00836 138.1
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

patents stripe