CID 4620598

14464-31-4

Structural Information

Molecular Formula

C₂₀H₃₅NO₄

SMILES

CCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)25-21-18(22)16-17-19(21)23/h2-17H2,1H3

InChIKey

OTNHQVHEZCBZQU-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) hexadecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 573
Patents: 353.25662 Da
Monoisotopic Mass: 6.6
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]+	354.263896	191.3
[M+Na]+	376.245838	194.0
[M-H]-	352.249344	191.3
[M+NH4]+	371.290443	204.7
[M+K]+	392.219778	190.7
[M+H-H2O]+	336.253880	183.3
[M+HCOO]-	398.254821	209.1
[M+CH3COO]-	412.270471	215.6
[M+Na-2H]-	374.231286	187.1
[M]+	353.25607142	197.3
[M]-	353.25716858	197.3

Literature stripe

literature stripe

Patent stripe

patents stripe