CID 18553

3204-78-2

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

C1CCC(CC1)C2CC(C2)C(=O)O

InChI

InChI=1S/C11H18O2/c12-11(13)10-6-9(7-10)8-4-2-1-3-5-8/h8-10H,1-7H2,(H,12,13)

InChIKey

CWCBASCSGVOBLJ-UHFFFAOYSA-N

Compound name

3-cyclohexylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.13068 Da
Monoisotopic Mass: 3.2
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]+	183.137956	138.6
[M+Na]+	205.119898	140.9
[M-H]-	181.123404	142.6
[M+NH4]+	200.164503	150.8
[M+K]+	221.093838	142.3
[M+H-H2O]+	165.127940	127.6
[M+HCOO]-	227.128881	154.6
[M+CH3COO]-	241.144531	182.6
[M+Na-2H]-	203.105346	140.2
[M]+	182.13013142	140.8
[M]-	182.13122858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.