CID 167717559

[8-(aminomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

C1CC2(CCC1(CN)CO)OCCO2

InChI

InChI=1S/C10H19NO3/c11-7-9(8-12)1-3-10(4-2-9)13-5-6-14-10/h12H,1-8,11H2

InChIKey

NQGRXPNZCDXKJJ-UHFFFAOYSA-N

Compound name

[8-(aminomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.13649 Da
Monoisotopic Mass: -0.6
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]+	202.143766	144.2
[M+Na]+	224.125708	148.7
[M-H]-	200.129214	148.4
[M+NH4]+	219.170313	165.0
[M+K]+	240.099648	149.1
[M+H-H2O]+	184.133750	139.7
[M+HCOO]-	246.134691	160.9
[M+CH3COO]-	260.150341	179.4
[M+Na-2H]-	222.111156	150.7
[M]+	201.13594142	139.0
[M]-	201.13703858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.