CID 57155797

(2r)-2-hydroxy-2-[4-(propan-2-yl)phenyl]acetic acid

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC(C)C1=CC=C(C=C1)[C@H](C(=O)O)O

InChI

InChI=1S/C11H14O3/c1-7(2)8-3-5-9(6-4-8)10(12)11(13)14/h3-7,10,12H,1-2H3,(H,13,14)/t10-/m1/s1

InChIKey

QGBGSPANMHQOAV-SNVBAGLBSA-N

Compound name

(2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 194.0943 Da
Monoisotopic Mass: 1.7
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]+	195.101576	142.4
[M+Na]+	217.083518	148.4
[M-H]-	193.087024	143.4
[M+NH4]+	212.128123	160.4
[M+K]+	233.057458	146.8
[M+H-H2O]+	177.091560	137.1
[M+HCOO]-	239.092501	161.2
[M+CH3COO]-	253.108151	181.2
[M+Na-2H]-	215.068966	144.1
[M]+	194.09375142	141.4
[M]-	194.09484858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe