CID 23590667

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C10H15NOS
SMILES
CC1=C(SC(=N1)C(C)(C)C)C(=O)C
InChI
InChI=1S/C10H15NOS/c1-6-8(7(2)12)13-9(11-6)10(3,4)5/h1-5H3
InChIKey
RODSPZYICFCYLS-UHFFFAOYSA-N
Compound name
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.08743 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.094706 143.7
[M+Na]+ 220.076648 153.4
[M-H]- 196.080154 147.1
[M+NH4]+ 215.121253 165.0
[M+K]+ 236.050588 151.4
[M+H-H2O]+ 180.084690 138.7
[M+HCOO]- 242.085631 160.1
[M+CH3COO]- 256.101281 184.8
[M+Na-2H]- 218.062096 144.0
[M]+ 197.08688142 147.9
[M]- 197.08797858 147.9
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