CID 64544412

1-[2-(propan-2-yl)-1,3-thiazol-4-yl]ethan-1-one

Structural Information

Molecular Formula
C8H11NOS
SMILES
CC(C)C1=NC(=CS1)C(=O)C
InChI
InChI=1S/C8H11NOS/c1-5(2)8-9-7(4-11-8)6(3)10/h4-5H,1-3H3
InChIKey
FLSBSCXHPKJRAN-UHFFFAOYSA-N
Compound name
1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

169.05614 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.063416 135.2
[M+Na]+ 192.045358 144.1
[M-H]- 168.048864 138.4
[M+NH4]+ 187.089963 157.1
[M+K]+ 208.019298 142.7
[M+H-H2O]+ 152.053400 129.7
[M+HCOO]- 214.054341 152.7
[M+CH3COO]- 228.069991 178.9
[M+Na-2H]- 190.030806 135.1
[M]+ 169.05559142 138.3
[M]- 169.05668858 138.3
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