CID 20035831

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

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C1CC2=C(C1C(=O)O)C=CC(=C2)O

InChI

InChI=1S/C10H10O3/c11-7-2-4-8-6(5-7)1-3-9(8)10(12)13/h2,4-5,9,11H,1,3H2,(H,12,13)

InChIKey

QTHHXNPTZDPJMU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 178.06299 Da
Monoisotopic Mass: 1.5
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	135.5
[M+Na]+	201.052208	143.6
[M-H]-	177.055714	137.7
[M+NH4]+	196.096813	157.2
[M+K]+	217.026148	140.7
[M+H-H2O]+	161.060250	131.0
[M+HCOO]-	223.061191	155.7
[M+CH3COO]-	237.076841	175.3
[M+Na-2H]-	199.037656	139.5
[M]+	178.06244142	133.9
[M]-	178.06353858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe