CID 3164326

2-methyloxolane-2-carboxylic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC1(CCCO1)C(=O)O

InChI

InChI=1S/C6H10O3/c1-6(5(7)8)3-2-4-9-6/h2-4H2,1H3,(H,7,8)

InChIKey

WMQAQMYIZDJCDJ-UHFFFAOYSA-N

Compound name

2-methyloxolane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 261
Patents: 130.06299 Da
Monoisotopic Mass: 0.4
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	124.5
[M+Na]+	153.05221	131.5
[M-H]-	129.05571	127.3
[M+NH4]+	148.09681	148.0
[M+K]+	169.02615	132.4
[M+H-H2O]+	113.06025	120.9
[M+HCOO]-	175.06119	145.2
[M+CH3COO]-	189.07684	166.0
[M+Na-2H]-	151.03766	130.6
[M]+	130.06244	123.1
[M]-	130.06354	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe