CID 104513

2-isobutyl-4,5-dimethylthiazole

Structural Information

Molecular Formula
C9H15NS
SMILES
CC1=C(SC(=N1)CC(C)C)C
InChI
InChI=1S/C9H15NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3
InChIKey
NSVPHVLZAKJSGV-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-(2-methylpropyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

119
Patents

169.09251 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09979 138.4
[M+Na]+ 192.08173 149.9
[M+NH4]+ 187.12633 147.7
[M+K]+ 208.05567 143.4
[M-H]- 168.08523 140.2
[M+Na-2H]- 190.06718 142.9
[M]+ 169.09196 141.0
[M]- 169.09306 141.0
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