CID 68683040

1512644-89-1

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1CC2(CC1CN)OCCO2

InChI

InChI=1S/C8H15NO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-6,9H2

InChIKey

WXYAYVWLCURXPF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 157.11028 Da
Monoisotopic Mass: -0.2
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]+	158.11756	133.0
[M+Na]+	180.09950	138.6
[M-H]-	156.10300	138.8
[M+NH4]+	175.14410	156.1
[M+K]+	196.07344	139.6
[M+H-H2O]+	140.10754	128.8
[M+HCOO]-	202.10848	153.8
[M+CH3COO]-	216.12413	174.0
[M+Na-2H]-	178.08495	138.4
[M]+	157.10973	129.1
[M]-	157.11083	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe