CID 79420822

1514141-11-7

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

C=CCC1(CCOC1)C(=O)O

InChI

InChI=1S/C8H12O3/c1-2-3-8(7(9)10)4-5-11-6-8/h2H,1,3-6H2,(H,9,10)

InChIKey

XWOQCVINBTWKOL-UHFFFAOYSA-N

Compound name

3-prop-2-enyloxolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.07864 Da
Monoisotopic Mass: 0.7
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]+	157.08592	134.1
[M+Na]+	179.06786	142.7
[M+NH4]+	174.11246	142.6
[M+K]+	195.04180	138.5
[M-H]-	155.07136	134.7
[M+Na-2H]-	177.05331	137.9
[M]+	156.07809	135.3
[M]-	156.07919	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.