CID 14141014

210297-55-5

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

CC1(OCC(O1)CC(=O)O)C

InChI

InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)3-6(8)9/h5H,3-4H2,1-2H3,(H,8,9)

InChIKey

OIUZBDNWEHNDHO-UHFFFAOYSA-N

Compound name

2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 160.07356 Da
Monoisotopic Mass: 0.0
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]+	161.08084	131.9
[M+Na]+	183.06278	140.8
[M+NH4]+	178.10738	140.1
[M+K]+	199.03672	138.2
[M-H]-	159.06628	133.6
[M+Na-2H]-	181.04823	135.0
[M]+	160.07301	133.5
[M]-	160.07411	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe