CID 84071995

{8-amino-1,4-dioxaspiro[4.5]decan-8-yl}methanol

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

C1CC2(CCC1(CO)N)OCCO2

InChI

InChI=1S/C9H17NO3/c10-8(7-11)1-3-9(4-2-8)12-5-6-13-9/h11H,1-7,10H2

InChIKey

MPRZBLJAAGWSKB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 187.12085 Da
Monoisotopic Mass: -0.9
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]+	188.128126	139.8
[M+Na]+	210.110068	144.7
[M-H]-	186.113574	144.1
[M+NH4]+	205.154673	161.1
[M+K]+	226.084008	145.3
[M+H-H2O]+	170.118110	135.4
[M+HCOO]-	232.119051	156.8
[M+CH3COO]-	246.134701	176.4
[M+Na-2H]-	208.095516	146.8
[M]+	187.12030142	134.2
[M]-	187.12139858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe