CID 55299928

25277-91-2

Structural Information

Molecular Formula

C₆H₈O₄

SMILES

CC1CC(C(=O)O1)C(=O)O

InChI

InChI=1S/C6H8O4/c1-3-2-4(5(7)8)6(9)10-3/h3-4H,2H2,1H3,(H,7,8)

InChIKey

IDQXNIBOTPWGCF-UHFFFAOYSA-N

Compound name

5-methyl-2-oxooxolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 144.04225 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]+	145.04953	127.1
[M+Na]+	167.03147	136.2
[M+NH4]+	162.07607	133.9
[M+K]+	183.00541	135.3
[M-H]-	143.03497	127.4
[M+Na-2H]-	165.01692	128.9
[M]+	144.04170	128.0
[M]-	144.04280	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe