CID 79559823

3-(pyrrolidin-2-yl)oxan-4-ol

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

C1CC(NC1)C2COCCC2O

InChI

InChI=1S/C9H17NO2/c11-9-3-5-12-6-7(9)8-2-1-4-10-8/h7-11H,1-6H2

InChIKey

PKKMWSSDRQBNKG-UHFFFAOYSA-N

Compound name

3-pyrrolidin-2-yloxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.12593 Da
Monoisotopic Mass: 0.0
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	139.5
[M+Na]+	194.11515	148.3
[M+NH4]+	189.15975	147.6
[M+K]+	210.08909	145.4
[M-H]-	170.11865	142.3
[M+Na-2H]-	192.10060	142.7
[M]+	171.12538	141.2
[M]-	171.12648	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.