CID 47803

66016-23-7

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCC1(CC(C1)C(=O)O)C

InChI

InChI=1S/C8H14O2/c1-3-8(2)4-6(5-8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)

InChIKey

PBLPMCDIRWMEMC-UHFFFAOYSA-N

Compound name

3-ethyl-3-methylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 142.09938 Da
Monoisotopic Mass: 2.0
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]+	143.10666	132.3
[M+Na]+	165.08860	137.8
[M+NH4]+	160.13320	137.5
[M+K]+	181.06254	133.3
[M-H]-	141.09210	129.8
[M+Na-2H]-	163.07405	134.9
[M]+	142.09883	131.1
[M]-	142.09993	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe