CID 421238

15205-27-3

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CNCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C9H11NO2/c1-10-5-7-2-3-8-9(4-7)12-6-11-8/h2-4,10H,5-6H2,1H3

InChIKey

CEPGPPSMCRKGFJ-UHFFFAOYSA-N

Compound name

1-(1,3-benzodioxol-5-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 313
Patents: 165.07898 Da
Monoisotopic Mass: 1.3
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]+	166.08626	132.5
[M+Na]+	188.06820	144.5
[M+NH4]+	183.11280	141.8
[M+K]+	204.04214	140.6
[M-H]-	164.07170	137.9
[M+Na-2H]-	186.05365	137.6
[M]+	165.07843	135.7
[M]-	165.07953	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe