CID 55302157

121609-45-8

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCC1CC(C1)CC(=O)O

InChI

InChI=1S/C8H14O2/c1-2-6-3-7(4-6)5-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)

InChIKey

SAWFSRMTDRNBDR-UHFFFAOYSA-N

Compound name

2-(3-ethylcyclobutyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 142.09938 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]+	143.10666	130.1
[M+Na]+	165.08860	135.2
[M-H]-	141.09210	132.2
[M+NH4]+	160.13320	144.6
[M+K]+	181.06254	137.3
[M+H-H2O]+	125.09664	120.4
[M+HCOO]-	187.09758	149.7
[M+CH3COO]-	201.11323	177.1
[M+Na-2H]-	163.07405	133.4
[M]+	142.09883	137.8
[M]-	142.09993	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe