CID 720882

30748-47-1

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CC1=C(SC(=N1)N)C(=O)C
InChI
InChI=1S/C6H8N2OS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3,(H2,7,8)
InChIKey
PKUKCASRNJIQNU-UHFFFAOYSA-N
Compound name
1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

421
Patents

156.03574 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe