CID 359828

Nsc621395

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CN1C(=O)CC(CC1=O)CC(=O)C2CCCCC2=O

InChI

InChI=1S/C14H19NO4/c1-15-13(18)7-9(8-14(15)19)6-12(17)10-4-2-3-5-11(10)16/h9-10H,2-8H2,1H3

InChIKey

MOCMGDQVYCKPOY-UHFFFAOYSA-N

Compound name

1-methyl-4-[2-oxo-2-(2-oxocyclohexyl)ethyl]piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 265.1314 Da
Monoisotopic Mass: 0.0
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]+	266.138676	159.2
[M+Na]+	288.120618	164.0
[M-H]-	264.124124	163.4
[M+NH4]+	283.165223	174.0
[M+K]+	304.094558	161.7
[M+H-H2O]+	248.128660	151.7
[M+HCOO]-	310.129601	174.1
[M+CH3COO]-	324.145251	197.7
[M+Na-2H]-	286.106066	157.7
[M]+	265.13085142	154.2
[M]-	265.13194858	154.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.