CID 14913071

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

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

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

InChI

InChI=1S/C10H10O3/c11-9(12)10(13)5-7-3-1-2-4-8(7)6-10/h1-4,13H,5-6H2,(H,11,12)

InChIKey

QXZHLYGZXSVTGM-UHFFFAOYSA-N

Compound name

2-hydroxy-1,3-dihydroindene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 178.06299 Da
Monoisotopic Mass: 1.0
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]+	179.070266	136.5
[M+Na]+	201.052208	144.8
[M-H]-	177.055714	138.8
[M+NH4]+	196.096813	160.0
[M+K]+	217.026148	141.9
[M+H-H2O]+	161.060250	132.5
[M+HCOO]-	223.061191	156.7
[M+CH3COO]-	237.076841	173.7
[M+Na-2H]-	199.037656	142.3
[M]+	178.06244142	134.9
[M]-	178.06353858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe