CID 21897030

4045-27-6

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC(=O)N1CCCC(C1)O

InChI

InChI=1S/C7H13NO2/c1-6(9)8-4-2-3-7(10)5-8/h7,10H,2-5H2,1H3

InChIKey

HTFMTRPNNXNQRN-UHFFFAOYSA-N

Compound name

1-(3-hydroxypiperidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 198
Patents: 143.09464 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]+	144.101916	130.7
[M+Na]+	166.083858	136.5
[M-H]-	142.087364	131.1
[M+NH4]+	161.128463	150.1
[M+K]+	182.057798	135.7
[M+H-H2O]+	126.091900	125.0
[M+HCOO]-	188.092841	148.4
[M+CH3COO]-	202.108491	170.8
[M+Na-2H]-	164.069306	134.6
[M]+	143.09409142	126.1
[M]-	143.09518858	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe