CID 137942697

2260931-31-3

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CCC1(COC1)C#CC(=O)O

InChI

InChI=1S/C8H10O3/c1-2-8(5-11-6-8)4-3-7(9)10/h2,5-6H2,1H3,(H,9,10)

InChIKey

KCJAVQOUEOXINN-UHFFFAOYSA-N

Compound name

3-(3-ethyloxetan-3-yl)prop-2-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.06299 Da
Monoisotopic Mass: 1.0
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]+	155.07027	131.7
[M+Na]+	177.05221	137.4
[M+NH4]+	172.09681	133.1
[M+K]+	193.02615	130.9
[M-H]-	153.05571	122.4
[M+Na-2H]-	175.03766	131.5
[M]+	154.06244	128.0
[M]-	154.06354	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.