CID 2530245

1-(dimethyl-1,3-thiazol-4-yl)ethan-1-one

Structural Information

Molecular Formula
C7H9NOS
SMILES
CC1=C(N=C(S1)C)C(=O)C
InChI
InChI=1S/C7H9NOS/c1-4(9)7-5(2)10-6(3)8-7/h1-3H3
InChIKey
OJPIXALUIAHSQX-UHFFFAOYSA-N
Compound name
1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

155.04048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 129.6
[M+Na]+ 178.02970 140.1
[M-H]- 154.03320 133.2
[M+NH4]+ 173.07430 152.4
[M+K]+ 194.00364 138.4
[M+H-H2O]+ 138.03774 124.5
[M+HCOO]- 200.03868 148.4
[M+CH3COO]- 214.05433 176.1
[M+Na-2H]- 176.01515 130.5
[M]+ 155.03993 133.3
[M]- 155.04103 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