CID 44375435

4,5-methylenedioxy-2-aminoindane

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1C(CC2=C1C=CC3=C2OCO3)N

InChI

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

InChIKey

AHYFDWHTTFREHS-UHFFFAOYSA-N

Compound name

7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 177.07898 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]+	178.086256	133.8
[M+Na]+	200.068198	142.6
[M-H]-	176.071704	140.4
[M+NH4]+	195.112803	156.7
[M+K]+	216.042138	142.0
[M+H-H2O]+	160.076240	129.9
[M+HCOO]-	222.077181	155.4
[M+CH3COO]-	236.092831	148.4
[M+Na-2H]-	198.053646	140.2
[M]+	177.07843142	133.7
[M]-	177.07952858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe