CID 123445

1-aminoindan

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C1CC2=CC=CC=C2C1N

InChI

InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2

InChIKey

XJEVHMGJSYVQBQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 61
References: 7258
Patents: 133.08914 Da
Monoisotopic Mass: 1.2
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]+	134.096416	125.3
[M+Na]+	156.078358	133.3
[M-H]-	132.081864	129.5
[M+NH4]+	151.122963	149.7
[M+K]+	172.052298	130.5
[M+H-H2O]+	116.086400	120.2
[M+HCOO]-	178.087341	149.6
[M+CH3COO]-	192.102991	139.7
[M+Na-2H]-	154.063806	132.0
[M]+	133.08859142	122.0
[M]-	133.08968858	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe