CID 43146599

1421604-95-6

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1CC1(C2=CC3=C(C=C2)OCO3)N

InChI

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

InChIKey

SPJVKWJVDVINCV-UHFFFAOYSA-N

Compound name

1-(1,3-benzodioxol-5-yl)cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 177.07898 Da
Monoisotopic Mass: 1.1
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]+	178.08626	132.5
[M+Na]+	200.06820	143.0
[M-H]-	176.07170	142.2
[M+NH4]+	195.11280	149.5
[M+K]+	216.04214	142.9
[M+H-H2O]+	160.07624	127.5
[M+HCOO]-	222.07718	154.5
[M+CH3COO]-	236.09283	147.0
[M+Na-2H]-	198.05365	141.9
[M]+	177.07843	135.5
[M]-	177.07953	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe