CID 720882

5-acetyl-2-amino-4-methylthiazole

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

431
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 130.2
[M+Na]+ 179.02496 140.1
[M-H]- 155.02846 133.2
[M+NH4]+ 174.06956 152.2
[M+K]+ 194.99890 138.0
[M+H-H2O]+ 139.03300 124.6
[M+HCOO]- 201.03394 149.5
[M+CH3COO]- 215.04959 177.2
[M+Na-2H]- 177.01041 130.9
[M]+ 156.03519 131.6
[M]- 156.03629 131.6
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