CID 43616377

1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

C=CC(=O)N1CCC(CC1)CO

InChI

InChI=1S/C9H15NO2/c1-2-9(12)10-5-3-8(7-11)4-6-10/h2,8,11H,1,3-7H2

InChIKey

ZKXRDDRYQFSFQZ-UHFFFAOYSA-N

Compound name

1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 169.11028 Da
Monoisotopic Mass: 0.4
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]+	170.11756	139.1
[M+Na]+	192.09950	148.7
[M+NH4]+	187.14410	146.1
[M+K]+	208.07344	143.5
[M-H]-	168.10300	138.8
[M+Na-2H]-	190.08495	142.2
[M]+	169.10973	140.0
[M]-	169.11083	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe