CID 63906718

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

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

CCOC(=O)CC1=NC(=CS1)C2CC2

InChI

InChI=1S/C10H13NO2S/c1-2-13-10(12)5-9-11-8(6-14-9)7-3-4-7/h6-7H,2-5H2,1H3

InChIKey

IYQXYSFQURNDKN-UHFFFAOYSA-N

Compound name

ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.0667 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.073976	144.3
[M+Na]+	234.055918	154.1
[M-H]-	210.059424	150.8
[M+NH4]+	229.100523	159.4
[M+K]+	250.029858	150.9
[M+H-H2O]+	194.063960	137.5
[M+HCOO]-	256.064901	162.9
[M+CH3COO]-	270.080551	187.0
[M+Na-2H]-	232.041366	145.0
[M]+	211.06615142	150.8
[M]-	211.06724858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe