CID 21464507

4-methyloxolane-2-carboxylic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC1CC(OC1)C(=O)O

InChI

InChI=1S/C6H10O3/c1-4-2-5(6(7)8)9-3-4/h4-5H,2-3H2,1H3,(H,7,8)

InChIKey

GZPNKUJXGUXJMW-UHFFFAOYSA-N

Compound name

4-methyloxolane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 130.06299 Da
Monoisotopic Mass: 0.6
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]+	131.07027	125.3
[M+Na]+	153.05221	134.5
[M+NH4]+	148.09681	133.0
[M+K]+	169.02615	132.8
[M-H]-	129.05571	126.3
[M+Na-2H]-	151.03766	127.9
[M]+	130.06244	126.5
[M]-	130.06354	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe