CID 97619

55720-22-4

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

C1CC2=CC=C(C3=CC=CC1=C23)C(=O)O

InChI

InChI=1S/C13H10O2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2,(H,14,15)

InChIKey

DXKAWGBIIVQFIE-UHFFFAOYSA-N

Compound name

1,2-dihydroacenaphthylene-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 81
Patents: 198.06808 Da
Monoisotopic Mass: 3.5
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]+	199.07536	140.9
[M+Na]+	221.05730	149.6
[M-H]-	197.06080	144.8
[M+NH4]+	216.10190	163.8
[M+K]+	237.03124	145.7
[M+H-H2O]+	181.06534	135.9
[M+HCOO]-	243.06628	161.4
[M+CH3COO]-	257.08193	154.4
[M+Na-2H]-	219.04275	147.1
[M]+	198.06753	141.5
[M]-	198.06863	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe