CID 2877764

109878-50-4

Structural Information

Molecular Formula

C₁₅H₂₀O₃

SMILES

CC1(CC(CCO1)(CC(=O)O)C2=CC=CC=C2)C

InChI

InChI=1S/C15H20O3/c1-14(2)11-15(8-9-18-14,10-13(16)17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,17)

InChIKey

VOWBSUAXGNNDGB-UHFFFAOYSA-N

Compound name

2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 248.14125 Da
Monoisotopic Mass: 2.4
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]+	249.148526	157.2
[M+Na]+	271.130468	162.8
[M-H]-	247.133974	162.8
[M+NH4]+	266.175073	176.0
[M+K]+	287.104408	161.7
[M+H-H2O]+	231.138510	151.3
[M+HCOO]-	293.139451	174.4
[M+CH3COO]-	307.155101	190.1
[M+Na-2H]-	269.115916	162.6
[M]+	248.14070142	155.3
[M]-	248.14179858	155.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.