CID 27266

2-(naphthalen-2-yl)butanoic acid

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

CCC(C1=CC2=CC=CC=C2C=C1)C(=O)O

InChI

InChI=1S/C14H14O2/c1-2-13(14(15)16)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3,(H,15,16)

InChIKey

BKYOHEHDQWPGOY-UHFFFAOYSA-N

Compound name

2-naphthalen-2-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 214.09938 Da
Monoisotopic Mass: 3.6
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]+	215.10666	146.9
[M+Na]+	237.08860	153.8
[M-H]-	213.09210	150.0
[M+NH4]+	232.13320	165.8
[M+K]+	253.06254	150.5
[M+H-H2O]+	197.09664	140.9
[M+HCOO]-	259.09758	166.9
[M+CH3COO]-	273.11323	187.3
[M+Na-2H]-	235.07405	152.2
[M]+	214.09883	146.8
[M]-	214.09993	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe