CID 85738135

5-ethyl-4-methyl-2-octylthiazole

Structural Information

Molecular Formula
C14H25NS
SMILES
CCCCCCCCC1=NC(=C(S1)CC)C
InChI
InChI=1S/C14H25NS/c1-4-6-7-8-9-10-11-14-15-12(3)13(5-2)16-14/h4-11H2,1-3H3
InChIKey
KABDBXXFTIHONZ-UHFFFAOYSA-N
Compound name
5-ethyl-4-methyl-2-octyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.17078 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.17806 158.0
[M+Na]+ 262.16000 165.6
[M-H]- 238.16350 160.1
[M+NH4]+ 257.20460 177.7
[M+K]+ 278.13394 161.9
[M+H-H2O]+ 222.16804 151.4
[M+HCOO]- 284.16898 175.2
[M+CH3COO]- 298.18463 195.3
[M+Na-2H]- 260.14545 156.4
[M]+ 239.17023 164.1
[M]- 239.17133 164.1
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

No patent data available for this compound.