CID 529396

59303-17-2

Structural Information

Molecular Formula
C6H7NOS
SMILES
CC1=CN=C(S1)C(=O)C
InChI
InChI=1S/C6H7NOS/c1-4-3-7-6(9-4)5(2)8/h3H,1-2H3
InChIKey
ZGOBPVBSAXXNES-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,3-thiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

147
Patents

141.02484 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 128.4
[M+Na]+ 164.01406 139.7
[M+NH4]+ 159.05866 137.3
[M+K]+ 179.98800 134.0
[M-H]- 140.01756 129.4
[M+Na-2H]- 161.99951 133.2
[M]+ 141.02429 130.6
[M]- 141.02539 130.6
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