CID 86065161

4-ethyl-5-methyl-2-propylthiazole

Structural Information

Molecular Formula
C9H15NS
SMILES
CCCC1=NC(=C(S1)C)CC
InChI
InChI=1S/C9H15NS/c1-4-6-9-10-8(5-2)7(3)11-9/h4-6H2,1-3H3
InChIKey
QHXZAOWOVRYQIR-UHFFFAOYSA-N
Compound name
4-ethyl-5-methyl-2-propyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

169.09251 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.099786 135.6
[M+Na]+ 192.081728 145.5
[M-H]- 168.085234 138.7
[M+NH4]+ 187.126333 158.1
[M+K]+ 208.055668 143.0
[M+H-H2O]+ 152.089770 130.1
[M+HCOO]- 214.090711 154.4
[M+CH3COO]- 228.106361 180.3
[M+Na-2H]- 190.067176 136.5
[M]+ 169.09196142 139.9
[M]- 169.09305858 139.9
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