CID 776235

19728-20-2

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CC1=C(C=C(C=C1)C(C)C)OCC(=O)O

InChI

InChI=1S/C12H16O3/c1-8(2)10-5-4-9(3)11(6-10)15-7-12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14)

InChIKey

OWRFHSFWUCJFQE-UHFFFAOYSA-N

Compound name

2-(2-methyl-5-propan-2-ylphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 208.10994 Da
Monoisotopic Mass: 3.0
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]+	209.11722	146.3
[M+Na]+	231.09916	157.8
[M+NH4]+	226.14376	153.4
[M+K]+	247.07310	152.8
[M-H]-	207.10266	147.0
[M+Na-2H]-	229.08461	151.0
[M]+	208.10939	147.9
[M]-	208.11049	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe