CID 11491967

857636-98-7

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

C1CC(CN(C1)CC#N)CO

InChI

InChI=1S/C8H14N2O/c9-3-5-10-4-1-2-8(6-10)7-11/h8,11H,1-2,4-7H2

InChIKey

HGNOOPUXZAESBO-UHFFFAOYSA-N

Compound name

2-[3-(hydroxymethyl)piperidin-1-yl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 154.11061 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]+	155.11789	130.7
[M+Na]+	177.09983	138.1
[M-H]-	153.10333	130.8
[M+NH4]+	172.14443	147.8
[M+K]+	193.07377	135.7
[M+H-H2O]+	137.10787	118.2
[M+HCOO]-	199.10881	145.7
[M+CH3COO]-	213.12446	186.8
[M+Na-2H]-	175.08528	135.5
[M]+	154.11006	121.9
[M]-	154.11116	121.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe