CID 120842

936-83-4

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

C1COC(=O)C1CCC(=O)O

InChI

InChI=1S/C7H10O4/c8-6(9)2-1-5-3-4-11-7(5)10/h5H,1-4H2,(H,8,9)

InChIKey

YUFJCZZAZUVXGI-UHFFFAOYSA-N

Compound name

3-(2-oxooxolan-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 158.0579 Da
Monoisotopic Mass: 0.1
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]+	159.065176	130.8
[M+Na]+	181.047118	137.6
[M-H]-	157.050624	133.5
[M+NH4]+	176.091723	151.3
[M+K]+	197.021058	138.0
[M+H-H2O]+	141.055160	126.2
[M+HCOO]-	203.056101	151.6
[M+CH3COO]-	217.071751	171.8
[M+Na-2H]-	179.032566	134.6
[M]+	158.05735142	130.6
[M]-	158.05844858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe