CID 13370221

Bicyclo[3.2.1]octane-3-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CC2CC1CC(C2)C(=O)O

InChI

InChI=1S/C9H14O2/c10-9(11)8-4-6-1-2-7(3-6)5-8/h6-8H,1-5H2,(H,10,11)

InChIKey

KTEWGIIYPCRLJJ-UHFFFAOYSA-N

Compound name

bicyclo[3.2.1]octane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 154.09938 Da
Monoisotopic Mass: 2.2
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	132.9
[M+Na]+	177.08860	141.5
[M+NH4]+	172.13320	142.1
[M+K]+	193.06254	138.1
[M-H]-	153.09210	132.9
[M+Na-2H]-	175.07405	134.3
[M]+	154.09883	133.7
[M]-	154.09993	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe