CID 155819742

2470439-26-8

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

C1C2CC1(CO2)CC(=O)O

InChI

InChI=1S/C7H10O3/c8-6(9)3-7-1-5(2-7)10-4-7/h5H,1-4H2,(H,8,9)

InChIKey

IAQDDZOEHJGCOK-UHFFFAOYSA-N

Compound name

2-(2-oxabicyclo[2.1.1]hexan-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.06299 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]+	143.070266	132.0
[M+Na]+	165.052208	137.8
[M-H]-	141.055714	132.7
[M+NH4]+	160.096813	153.9
[M+K]+	181.026148	140.5
[M+H-H2O]+	125.060250	126.5
[M+HCOO]-	187.061191	148.3
[M+CH3COO]-	201.076841	175.6
[M+Na-2H]-	163.037656	140.4
[M]+	142.06244142	145.1
[M]-	142.06353858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.