CID 233317

6324-89-6

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC1(OC2=C(O1)C=C(C=C2)N)C

InChI

InChI=1S/C9H11NO2/c1-9(2)11-7-4-3-6(10)5-8(7)12-9/h3-5H,10H2,1-2H3

InChIKey

IFQXAAQXRCQINZ-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1,3-benzodioxol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 47
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	131.6
[M+Na]+	188.06820	143.8
[M+NH4]+	183.11280	142.2
[M+K]+	204.04214	138.7
[M-H]-	164.07170	136.9
[M+Na-2H]-	186.05365	137.6
[M]+	165.07843	135.0
[M]-	165.07953	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe