CID 63042193

2173996-72-8

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

C1COCCC12CC2(CN)CO

InChI

InChI=1S/C9H17NO2/c10-6-9(7-11)5-8(9)1-3-12-4-2-8/h11H,1-7,10H2

InChIKey

NOLACALASLWZMH-UHFFFAOYSA-N

Compound name

[2-(aminomethyl)-6-oxaspiro[2.5]octan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.12593 Da
Monoisotopic Mass: -0.7
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]+	172.13321	140.0
[M+Na]+	194.11515	150.8
[M+NH4]+	189.15975	151.7
[M+K]+	210.08909	143.8
[M-H]-	170.11865	150.7
[M+Na-2H]-	192.10060	149.4
[M]+	171.12538	145.9
[M]-	171.12648	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.