CID 47002511

23131-47-7

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC(C)(CN)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C11H15NO2/c1-11(2,6-12)8-3-4-9-10(5-8)14-7-13-9/h3-5H,6-7,12H2,1-2H3

InChIKey

CGZCCWRCOLWZKV-UHFFFAOYSA-N

Compound name

2-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 193.11028 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]+	194.11756	142.1
[M+Na]+	216.09950	149.6
[M-H]-	192.10300	147.4
[M+NH4]+	211.14410	161.5
[M+K]+	232.07344	149.6
[M+H-H2O]+	176.10754	137.2
[M+HCOO]-	238.10848	162.6
[M+CH3COO]-	252.12413	184.9
[M+Na-2H]-	214.08495	150.2
[M]+	193.10973	143.1
[M]-	193.11083	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe