CID 76225826

1824546-32-8

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC1CC1CCCC(=O)O

InChI

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

InChIKey

HTMQXVHTLFEVDB-UHFFFAOYSA-N

Compound name

4-(2-methylcyclopropyl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	130.2
[M+Na]+	165.08860	141.6
[M+NH4]+	160.13320	138.5
[M+K]+	181.06254	138.2
[M-H]-	141.09210	137.2
[M+Na-2H]-	163.07405	136.7
[M]+	142.09883	134.7
[M]-	142.09993	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.