CID 84049177

1782272-74-5

Structural Information

Molecular Formula

C₅H₄O₅

SMILES

C1(C2C1OC(=O)O2)C(=O)O

InChI

InChI=1S/C5H4O5/c6-4(7)1-2-3(1)10-5(8)9-2/h1-3H,(H,6,7)

InChIKey

SQTWQYUHQOQHNY-UHFFFAOYSA-N

Compound name

3-oxo-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 144.00587 Da
Monoisotopic Mass: -0.3
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]+	145.01315	127.2
[M+Na]+	166.99509	138.2
[M+NH4]+	162.03969	134.8
[M+K]+	182.96903	139.1
[M-H]-	142.99859	135.4
[M+Na-2H]-	164.98054	130.6
[M]+	144.00532	131.9
[M]-	144.00642	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.