CID 16494992

5-(1-pyrrolidinylmethyl)-2-furanmethanol

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

C1CCN(C1)CC2=CC=C(O2)CO

InChI

InChI=1S/C10H15NO2/c12-8-10-4-3-9(13-10)7-11-5-1-2-6-11/h3-4,12H,1-2,5-8H2

InChIKey

POLAFJCRVYXYDM-UHFFFAOYSA-N

Compound name

[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.11028 Da
Monoisotopic Mass: 0.5
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]+	182.11756	140.0
[M+Na]+	204.09950	149.9
[M+NH4]+	199.14410	148.1
[M+K]+	220.07344	148.3
[M-H]-	180.10300	143.0
[M+Na-2H]-	202.08495	144.5
[M]+	181.10973	142.0
[M]-	181.11083	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe