CID 4060049

3667-71-8

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

C1CCCCC=C(CCCC1)C(=O)O

InChI

InChI=1S/C12H20O2/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h9H,1-8,10H2,(H,13,14)

InChIKey

VIOUXKOATDSRRK-UHFFFAOYSA-N

Compound name

cycloundecene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 196.14633 Da
Monoisotopic Mass: 4.4
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]+	197.15361	144.7
[M+Na]+	219.13555	147.4
[M-H]-	195.13905	143.4
[M+NH4]+	214.18015	160.1
[M+K]+	235.10949	146.6
[M+H-H2O]+	179.14359	142.1
[M+HCOO]-	241.14453	161.3
[M+CH3COO]-	255.16018	175.7
[M+Na-2H]-	217.12100	146.3
[M]+	196.14578	135.4
[M]-	196.14688	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe