CID 723336

64179-41-5

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)N

InChI

InChI=1S/C12H15NO2/c13-9-4-5-10-11(8-9)15-12(14-10)6-2-1-3-7-12/h4-5,8H,1-3,6-7,13H2

InChIKey

ZGUHEEOHWIVGOA-UHFFFAOYSA-N

Compound name

spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 1
Patents: 205.11028 Da
Monoisotopic Mass: 2.7
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]+	206.11756	144.5
[M+Na]+	228.09950	155.9
[M+NH4]+	223.14410	155.8
[M+K]+	244.07344	149.9
[M-H]-	204.10300	151.3
[M+Na-2H]-	226.08495	150.5
[M]+	205.10973	148.2
[M]-	205.11083	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe