CID 165948478

3-(oxolan-3-yl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1COCC1C23CC(C2)(C3)C(=O)O

InChI

InChI=1S/C10H14O3/c11-8(12)10-4-9(5-10,6-10)7-1-2-13-3-7/h7H,1-6H2,(H,11,12)

InChIKey

ZDAMNZQONSPAHG-UHFFFAOYSA-N

Compound name

3-(oxolan-3-yl)bicyclo[1.1.1]pentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.0943 Da
Monoisotopic Mass: 0.6
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]+	183.101576	145.1
[M+Na]+	205.083518	147.1
[M-H]-	181.087024	150.0
[M+NH4]+	200.128123	150.6
[M+K]+	221.057458	153.4
[M+H-H2O]+	165.091560	133.3
[M+HCOO]-	227.092501	155.7
[M+CH3COO]-	241.108151	206.0
[M+Na-2H]-	203.068966	150.5
[M]+	182.09375142	168.3
[M]-	182.09484858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.