CID 233810

3927-71-7

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1CC(C2=CC=CC=C21)(C(=O)O)N

InChI

InChI=1S/C10H11NO2/c11-10(9(12)13)6-5-7-3-1-2-4-8(7)10/h1-4H,5-6,11H2,(H,12,13)

InChIKey

HTTPGMNPPMMMOP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 732
Patents: 177.07898 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]+	178.08626	136.8
[M+Na]+	200.06820	146.7
[M+NH4]+	195.11280	146.7
[M+K]+	216.04214	141.5
[M-H]-	176.07170	138.3
[M+Na-2H]-	198.05365	142.6
[M]+	177.07843	138.5
[M]-	177.07953	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe