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]+ 198.09471 143.7
[M+Na]+ 220.07665 153.4
[M-H]- 196.08015 147.1
[M+NH4]+ 215.12125 165.0
[M+K]+ 236.05059 151.4
[M+H-H2O]+ 180.08469 138.7
[M+HCOO]- 242.08563 160.1
[M+CH3COO]- 256.10128 184.8
[M+Na-2H]- 218.06210 144.0
[M]+ 197.08688 147.9
[M]- 197.08798 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