CID 11393

2-naphthylacetic acid

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

C1=CC=C2C=C(C=CC2=C1)CC(=O)O

InChI

InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)

InChIKey

VIBOGIYPPWLDTI-UHFFFAOYSA-N

Compound name

2-naphthalen-2-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 37
References: 3099
Patents: 186.06808 Da
Monoisotopic Mass: 2.8
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]+	187.07536	137.3
[M+Na]+	209.05730	145.4
[M-H]-	185.06080	140.7
[M+NH4]+	204.10190	157.4
[M+K]+	225.03124	142.0
[M+H-H2O]+	169.06534	131.6
[M+HCOO]-	231.06628	159.0
[M+CH3COO]-	245.08193	180.4
[M+Na-2H]-	207.04275	144.9
[M]+	186.06753	137.1
[M]-	186.06863	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe