CID 232840

2,3-dihydro-1h-indene-4-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1CC2=C(C1)C(=CC=C2)C(=O)O

InChI

InChI=1S/C10H10O2/c11-10(12)9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2,(H,11,12)

InChIKey

QJQQSHWSGOMJDZ-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-indene-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 162.06808 Da
Monoisotopic Mass: 2.3
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]+	163.075356	132.5
[M+Na]+	185.057298	140.3
[M-H]-	161.060804	135.8
[M+NH4]+	180.101903	155.4
[M+K]+	201.031238	137.7
[M+H-H2O]+	145.065340	127.7
[M+HCOO]-	207.066281	154.1
[M+CH3COO]-	221.081931	174.6
[M+Na-2H]-	183.042746	137.6
[M]+	162.06753142	130.9
[M]-	162.06862858	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe