CID 85575714

2-(5-methyl-2-furanyl)-3-piperidinol

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC1=CC=C(O1)C2C(CCCN2)O

InChI

InChI=1S/C10H15NO2/c1-7-4-5-9(13-7)10-8(12)3-2-6-11-10/h4-5,8,10-12H,2-3,6H2,1H3

InChIKey

KHCYBVSLKKTRRJ-UHFFFAOYSA-N

Compound name

2-(5-methylfuran-2-yl)piperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.11028 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]+	182.11756	139.8
[M+Na]+	204.09950	146.0
[M-H]-	180.10300	142.8
[M+NH4]+	199.14410	157.5
[M+K]+	220.07344	143.9
[M+H-H2O]+	164.10754	133.5
[M+HCOO]-	226.10848	157.1
[M+CH3COO]-	240.12413	174.7
[M+Na-2H]-	202.08495	142.9
[M]+	181.10973	135.0
[M]-	181.11083	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe