CID 420771

4-piperidinemethanol

Structural Information

Molecular Formula

SMILES

C1CNCCC1CO

InChI

InChI=1S/C6H13NO/c8-5-6-1-3-7-4-2-6/h6-8H,1-5H2

InChIKey

XBXHCBLBYQEYTI-UHFFFAOYSA-N

Compound name

piperidin-4-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9859
Patents: 115.09972 Da
Monoisotopic Mass: -0.1
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]+	116.10700	125.4
[M+Na]+	138.08894	130.0
[M-H]-	114.09244	124.0
[M+NH4]+	133.13354	145.0
[M+K]+	154.06288	128.2
[M+H-H2O]+	98.096980	119.7
[M+HCOO]-	160.09792	142.4
[M+CH3COO]-	174.11357	162.7
[M+Na-2H]-	136.07439	131.1
[M]+	115.09917	118.0
[M]-	115.10027	118.0

Literature stripe

literature stripe

Patent stripe

patents stripe