CID 62653159

1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethan-1-one

Structural Information

Molecular Formula
C12H11NOS
SMILES
CC1=CC=CC=C1C2=NC=C(S2)C(=O)C
InChI
InChI=1S/C12H11NOS/c1-8-5-3-4-6-10(8)12-13-7-11(15-12)9(2)14/h3-7H,1-2H3
InChIKey
BOEUYFSEXWUVNG-UHFFFAOYSA-N
Compound name
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.05614 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06342 146.2
[M+Na]+ 240.04536 156.1
[M-H]- 216.04886 152.7
[M+NH4]+ 235.08996 166.2
[M+K]+ 256.01930 152.5
[M+H-H2O]+ 200.05340 139.7
[M+HCOO]- 262.05434 165.2
[M+CH3COO]- 276.06999 186.6
[M+Na-2H]- 238.03081 147.0
[M]+ 217.05559 149.3
[M]- 217.05669 149.3
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

No patent data available for this compound.