CID 560044

5735-97-7

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

CC1(OCCO1)CC(=O)O

InChI

InChI=1S/C6H10O4/c1-6(4-5(7)8)9-2-3-10-6/h2-4H2,1H3,(H,7,8)

InChIKey

FTKBXLIEUSEMPP-UHFFFAOYSA-N

Compound name

2-(2-methyl-1,3-dioxolan-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 146.0579 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]+	147.06518	128.2
[M+Na]+	169.04712	137.0
[M+NH4]+	164.09172	136.6
[M+K]+	185.02106	134.4
[M-H]-	145.05062	129.9
[M+Na-2H]-	167.03257	131.8
[M]+	146.05735	129.8
[M]-	146.05845	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe