CID 130137841

2-oxa-7-azaspiro[3.5]nonane-7-ethanol

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

C1CN(CCC12COC2)CCO

InChI

InChI=1S/C9H17NO2/c11-6-5-10-3-1-9(2-4-10)7-12-8-9/h11H,1-8H2

InChIKey

ULNFQKRYRMPKOP-UHFFFAOYSA-N

Compound name

2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 171.12593 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]+	172.133206	133.0
[M+Na]+	194.115148	136.9
[M-H]-	170.118654	135.7
[M+NH4]+	189.159753	145.7
[M+K]+	210.089088	139.7
[M+H-H2O]+	154.123190	122.4
[M+HCOO]-	216.124131	148.4
[M+CH3COO]-	230.139781	178.1
[M+Na-2H]-	192.100596	140.2
[M]+	171.12538142	137.7
[M]-	171.12647858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe