CID 86065201

4,5-dimethyl-2-pentylthiazole

Structural Information

Molecular Formula
C10H17NS
SMILES
CCCCCC1=NC(=C(S1)C)C
InChI
InChI=1S/C10H17NS/c1-4-5-6-7-10-11-8(2)9(3)12-10/h4-7H2,1-3H3
InChIKey
VKEZOMGNMKPHCY-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-pentyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10817 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11545 140.1
[M+Na]+ 206.09739 149.5
[M-H]- 182.10089 143.1
[M+NH4]+ 201.14199 162.1
[M+K]+ 222.07133 146.8
[M+H-H2O]+ 166.10543 134.4
[M+HCOO]- 228.10637 158.6
[M+CH3COO]- 242.12202 183.3
[M+Na-2H]- 204.08284 140.5
[M]+ 183.10762 144.8
[M]- 183.10872 144.8
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.