CID 251957

Indan-2,2-dicarboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

C1C2=CC=CC=C2CC1(C(=O)O)C(=O)O

InChI

InChI=1S/C11H10O4/c12-9(13)11(10(14)15)5-7-3-1-2-4-8(7)6-11/h1-4H,5-6H2,(H,12,13)(H,14,15)

InChIKey

RYGAENQWIQPFAI-UHFFFAOYSA-N

Compound name

1,3-dihydroindene-2,2-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 206.0579 Da
Monoisotopic Mass: 1.3
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]+	207.06518	143.4
[M+Na]+	229.04712	152.8
[M+NH4]+	224.09172	151.9
[M+K]+	245.02106	148.9
[M-H]-	205.05062	142.8
[M+Na-2H]-	227.03257	147.7
[M]+	206.05735	144.3
[M]-	206.05845	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe