CID 16641253

101267-73-6

Structural Information

Molecular Formula

C₁₃H₁₈O₃

SMILES

CCC(C)(C)C1=CC=C(C=C1)OCC(=O)O

InChI

InChI=1S/C13H18O3/c1-4-13(2,3)10-5-7-11(8-6-10)16-9-12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15)

InChIKey

YVDCGOWSUYVCSD-UHFFFAOYSA-N

Compound name

2-[4-(2-methylbutan-2-yl)phenoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 222.1256 Da
Monoisotopic Mass: 3.7
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]+	223.13288	150.9
[M+Na]+	245.11482	161.9
[M+NH4]+	240.15942	157.8
[M+K]+	261.08876	156.9
[M-H]-	221.11832	151.1
[M+Na-2H]-	243.10027	155.9
[M]+	222.12505	152.4
[M]-	222.12615	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe