CID 41469

55556-91-7

Structural Information

Molecular Formula

C₅H₈N₂O₂

SMILES

C1CN(CCC1=O)N=O

InChI

InChI=1S/C5H8N2O2/c8-5-1-3-7(6-9)4-2-5/h1-4H2

InChIKey

ADLADNOVIJYIMA-UHFFFAOYSA-N

Compound name

1-nitrosopiperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4
Patents: 128.05858 Da
Monoisotopic Mass: -0.5
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]+	129.065856	122.0
[M+Na]+	151.047798	129.0
[M-H]-	127.051304	125.4
[M+NH4]+	146.092403	143.0
[M+K]+	167.021738	129.4
[M+H-H2O]+	111.055840	115.6
[M+HCOO]-	173.056781	145.6
[M+CH3COO]-	187.072431	173.8
[M+Na-2H]-	149.033246	129.6
[M]+	128.05803142	119.7
[M]-	128.05912858	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe