CID 90496

5-aminoindan

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C1CC2=C(C1)C=C(C=C2)N

InChI

InChI=1S/C9H11N/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,10H2

InChIKey

LEWZOBYWGWKNCK-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-inden-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2498
Patents: 133.08914 Da
Monoisotopic Mass: 2.1
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]+	134.09642	125.3
[M+Na]+	156.07836	133.3
[M-H]-	132.08186	129.5
[M+NH4]+	151.12296	149.7
[M+K]+	172.05230	130.5
[M+H-H2O]+	116.08640	120.2
[M+HCOO]-	178.08734	149.6
[M+CH3COO]-	192.10299	139.7
[M+Na-2H]-	154.06381	132.0
[M]+	133.08859	122.0
[M]-	133.08969	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe