CID 62633881

Ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate

Structural Information

Molecular Formula
C12H17NO2S
SMILES
CCOC(=O)CC1=NC(=CS1)C2CCCC2
InChI
InChI=1S/C12H17NO2S/c1-2-15-12(14)7-11-13-10(8-16-11)9-5-3-4-6-9/h8-9H,2-7H2,1H3
InChIKey
YKAFQKFXCZHSJC-UHFFFAOYSA-N
Compound name
ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.098 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10528 156.9
[M+Na]+ 262.08722 163.8
[M-H]- 238.09072 162.5
[M+NH4]+ 257.13182 177.4
[M+K]+ 278.06116 161.9
[M+H-H2O]+ 222.09526 150.6
[M+HCOO]- 284.09620 174.1
[M+CH3COO]- 298.11185 187.9
[M+Na-2H]- 260.07267 154.0
[M]+ 239.09745 159.1
[M]- 239.09855 159.1
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.