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]+ 240.105276 156.9
[M+Na]+ 262.087218 163.8
[M-H]- 238.090724 162.5
[M+NH4]+ 257.131823 177.4
[M+K]+ 278.061158 161.9
[M+H-H2O]+ 222.095260 150.6
[M+HCOO]- 284.096201 174.1
[M+CH3COO]- 298.111851 187.9
[M+Na-2H]- 260.072666 154.0
[M]+ 239.09745142 159.1
[M]- 239.09854858 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.