CID 575777

2-indancarboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1C(CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C10H10O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H,11,12)

InChIKey

XUDCMQBOWOLYCF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1175
Patents: 162.06808 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]+	163.07536	132.5
[M+Na]+	185.05730	140.3
[M-H]-	161.06080	135.8
[M+NH4]+	180.10190	155.4
[M+K]+	201.03124	137.7
[M+H-H2O]+	145.06534	127.7
[M+HCOO]-	207.06628	154.1
[M+CH3COO]-	221.08193	174.6
[M+Na-2H]-	183.04275	137.6
[M]+	162.06753	130.9
[M]-	162.06863	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe