CID 232841

Indan-5-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

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

InChI

InChI=1S/C10H10O2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,11,12)

InChIKey

FOJQJDBJBNEHTO-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-indene-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 302
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]+	163.07536	132.8
[M+Na]+	185.05730	144.2
[M+NH4]+	180.10190	142.0
[M+K]+	201.03124	140.1
[M-H]-	161.06080	134.3
[M+Na-2H]-	183.04275	137.8
[M]+	162.06753	134.7
[M]-	162.06863	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe