CID 2756272

7531-76-2

Structural Information

Molecular Formula
C7H9NOS
SMILES
CC1=C(SC(=N1)C(=O)C)C
InChI
InChI=1S/C7H9NOS/c1-4-6(3)10-7(8-4)5(2)9/h1-3H3
InChIKey
NQBBXAHMYZUTSW-UHFFFAOYSA-N
Compound name
1-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

155.04048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 129.6
[M+Na]+ 178.029698 140.1
[M-H]- 154.033204 133.2
[M+NH4]+ 173.074303 152.4
[M+K]+ 194.003638 138.4
[M+H-H2O]+ 138.037740 124.5
[M+HCOO]- 200.038681 148.4
[M+CH3COO]- 214.054331 176.1
[M+Na-2H]- 176.015146 130.5
[M]+ 155.03993142 133.3
[M]- 155.04102858 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe