CID 67819218

2402830-78-6

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(=O)C(C1CCNCC1)O

InChI

InChI=1S/C8H15NO2/c1-6(10)8(11)7-2-4-9-5-3-7/h7-9,11H,2-5H2,1H3

InChIKey

UUNRKAONFXOHQX-UHFFFAOYSA-N

Compound name

1-hydroxy-1-piperidin-4-ylpropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 157.11028 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]+	158.117556	136.5
[M+Na]+	180.099498	140.1
[M-H]-	156.103004	134.9
[M+NH4]+	175.144103	154.1
[M+K]+	196.073438	138.6
[M+H-H2O]+	140.107540	130.5
[M+HCOO]-	202.108481	151.3
[M+CH3COO]-	216.124131	171.7
[M+Na-2H]-	178.084946	138.7
[M]+	157.10973142	129.3
[M]-	157.11082858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe