CID 54143

78186-61-5

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC1(OC2=CC=CC=C2O1)NC

InChI

InChI=1S/C9H11NO2/c1-9(10-2)11-7-5-3-4-6-8(7)12-9/h3-6,10H,1-2H3

InChIKey

BENCWQHCLNLFLM-UHFFFAOYSA-N

Compound name

N,2-dimethyl-1,3-benzodioxol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.07898 Da
Monoisotopic Mass: 1.7
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	131.9
[M+Na]+	188.06820	144.0
[M+NH4]+	183.11280	142.7
[M+K]+	204.04214	138.5
[M-H]-	164.07170	137.3
[M+Na-2H]-	186.05365	138.6
[M]+	165.07843	135.3
[M]-	165.07953	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.