CID 62740785

3-ethyloxolane-3-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CCC1(CCOC1)C(=O)O

InChI

InChI=1S/C7H12O3/c1-2-7(6(8)9)3-4-10-5-7/h2-5H2,1H3,(H,8,9)

InChIKey

WXEHQNAFKAOSFJ-UHFFFAOYSA-N

Compound name

3-ethyloxolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 144.07864 Da
Monoisotopic Mass: 0.5
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]+	145.08592	130.2
[M+Na]+	167.06786	138.9
[M+NH4]+	162.11246	139.1
[M+K]+	183.04180	135.1
[M-H]-	143.07136	131.1
[M+Na-2H]-	165.05331	134.3
[M]+	144.07809	131.5
[M]-	144.07919	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe