CID 22744288

2490430-20-9

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1CC2=CC(=C(C=C2C1)N)C(=O)O

InChI

InChI=1S/C10H11NO2/c11-9-5-7-3-1-2-6(7)4-8(9)10(12)13/h4-5H,1-3,11H2,(H,12,13)

InChIKey

LAULYLYVFRDZEY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 177.07898 Da
Monoisotopic Mass: 2.2
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]+	178.086256	136.1
[M+Na]+	200.068198	143.9
[M-H]-	176.071704	139.2
[M+NH4]+	195.112803	158.0
[M+K]+	216.042138	140.9
[M+H-H2O]+	160.076240	131.1
[M+HCOO]-	222.077181	158.0
[M+CH3COO]-	236.092831	180.1
[M+Na-2H]-	198.053646	139.9
[M]+	177.07843142	133.2
[M]-	177.07952858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe