CID 10441897

Spiro[2.5]octane-1-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CCC2(CC1)CC2C(=O)O

InChI

InChI=1S/C9H14O2/c10-8(11)7-6-9(7)4-2-1-3-5-9/h7H,1-6H2,(H,10,11)

InChIKey

MWCFUPYBGQILOY-UHFFFAOYSA-N

Compound name

spiro[2.5]octane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 154.09938 Da
Monoisotopic Mass: 2.5
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]+	155.10666	136.7
[M+Na]+	177.08860	148.1
[M+NH4]+	172.13320	147.4
[M+K]+	193.06254	142.4
[M-H]-	153.09210	145.5
[M+Na-2H]-	175.07405	145.2
[M]+	154.09883	141.9
[M]-	154.09993	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe