CID 4229289

69888-86-4

Structural Information

Molecular Formula

C₁₈H₃₁NO₄

SMILES

CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)23-19-16(20)14-15-17(19)21/h2-15H2,1H3

InChIKey

NZEDHZOVUDEBGW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 193
Patents: 325.2253 Da
Monoisotopic Mass: 5.5
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]+	326.23258	183.1
[M+Na]+	348.21452	189.7
[M+NH4]+	343.25912	187.2
[M+K]+	364.18846	185.5
[M-H]-	324.21802	181.0
[M+Na-2H]-	346.19997	182.3
[M]+	325.22475	182.8
[M]-	325.22585	182.8

Literature stripe

literature stripe

Patent stripe

patents stripe