CID 53496016

1,4-dioxaspiro[4.4]nonan-7-amine

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1CC2(CC1N)OCCO2

InChI

InChI=1S/C7H13NO2/c8-6-1-2-7(5-6)9-3-4-10-7/h6H,1-5,8H2

InChIKey

FTUCRLHGAZBPBK-UHFFFAOYSA-N

Compound name

1,4-dioxaspiro[4.4]nonan-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 143.09464 Da
Monoisotopic Mass: -0.3
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]+	144.10192	128.4
[M+Na]+	166.08386	134.4
[M-H]-	142.08736	134.4
[M+NH4]+	161.12846	152.1
[M+K]+	182.05780	135.6
[M+H-H2O]+	126.09190	124.3
[M+HCOO]-	188.09284	149.6
[M+CH3COO]-	202.10849	171.0
[M+Na-2H]-	164.06931	134.3
[M]+	143.09409	124.2
[M]-	143.09519	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe