CID 19369542

2243507-32-4

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

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

InChI

InChI=1S/C11H13NO2/c12-6-11(3-4-11)8-1-2-9-10(5-8)14-7-13-9/h1-2,5H,3-4,6-7,12H2

InChIKey

WZJFNNGJVCPBTE-UHFFFAOYSA-N

Compound name

[1-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.09464 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]+	192.101916	136.9
[M+Na]+	214.083858	146.9
[M-H]-	190.087364	146.3
[M+NH4]+	209.128463	153.3
[M+K]+	230.057798	146.6
[M+H-H2O]+	174.091900	131.6
[M+HCOO]-	236.092841	158.5
[M+CH3COO]-	250.108491	150.9
[M+Na-2H]-	212.069306	145.7
[M]+	191.09409142	140.2
[M]-	191.09518858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe