CID 11275569

77586-77-7

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC(C)(C1=CC=CC=C1)C(C(=O)O)O

InChI

InChI=1S/C11H14O3/c1-11(2,9(12)10(13)14)8-6-4-3-5-7-8/h3-7,9,12H,1-2H3,(H,13,14)

InChIKey

QBQVIEGQSYQSJW-UHFFFAOYSA-N

Compound name

2-hydroxy-3-methyl-3-phenylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 194.0943 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]+	195.10158	142.3
[M+Na]+	217.08352	148.1
[M-H]-	193.08702	143.2
[M+NH4]+	212.12812	160.2
[M+K]+	233.05746	146.4
[M+H-H2O]+	177.09156	137.4
[M+HCOO]-	239.09250	160.6
[M+CH3COO]-	253.10815	179.4
[M+Na-2H]-	215.06897	146.8
[M]+	194.09375	141.1
[M]-	194.09485	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe