CID 55296251

5-butyl-4-ethylthiazole

Structural Information

Molecular Formula
C9H15NS
SMILES
CCCCC1=C(N=CS1)CC
InChI
InChI=1S/C9H15NS/c1-3-5-6-9-8(4-2)10-7-11-9/h7H,3-6H2,1-2H3
InChIKey
KVROJLRQGAGSOL-UHFFFAOYSA-N
Compound name
5-butyl-4-ethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09251 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09979 136.3
[M+Na]+ 192.08173 145.2
[M-H]- 168.08523 139.0
[M+NH4]+ 187.12633 158.5
[M+K]+ 208.05567 142.8
[M+H-H2O]+ 152.08977 130.4
[M+HCOO]- 214.09071 155.1
[M+CH3COO]- 228.10636 179.2
[M+Na-2H]- 190.06718 137.8
[M]+ 169.09196 140.2
[M]- 169.09306 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.