CID 9883673

(2r)-2-hydroxy-2-(naphthalen-2-yl)acetic acid

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

C1=CC=C2C=C(C=CC2=C1)[C@H](C(=O)O)O

InChI

InChI=1S/C12H10O3/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11,13H,(H,14,15)/t11-/m1/s1

InChIKey

UJDJTWLEXYIASW-LLVKDONJSA-N

Compound name

(2R)-2-hydroxy-2-naphthalen-2-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 202.06299 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]+	203.070266	141.1
[M+Na]+	225.052208	148.2
[M-H]-	201.055714	143.1
[M+NH4]+	220.096813	159.6
[M+K]+	241.026148	145.1
[M+H-H2O]+	185.060250	135.5
[M+HCOO]-	247.061191	160.3
[M+CH3COO]-	261.076841	180.9
[M+Na-2H]-	223.037656	146.9
[M]+	202.06244142	139.9
[M]-	202.06353858	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe