CID 21186453

848070-04-2

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C1C(CNCC1CO)CO

InChI

InChI=1S/C7H15NO2/c9-4-6-1-7(5-10)3-8-2-6/h6-10H,1-5H2

InChIKey

DGUFQLOMKOWYKL-UHFFFAOYSA-N

Compound name

[5-(hydroxymethyl)piperidin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 145.11028 Da
Monoisotopic Mass: -0.9
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]+	146.11756	133.3
[M+Na]+	168.09950	138.1
[M-H]-	144.10300	130.7
[M+NH4]+	163.14410	151.2
[M+K]+	184.07344	135.5
[M+H-H2O]+	128.10754	127.8
[M+HCOO]-	190.10848	148.7
[M+CH3COO]-	204.12413	166.4
[M+Na-2H]-	166.08495	137.3
[M]+	145.10973	126.3
[M]-	145.11083	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe