CID 73330464

Diroximel fumarate

Structural Information

Molecular Formula

C₁₁H₁₃NO₆

SMILES

COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O

InChI

InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+

InChIKey

YIMYDTCOUQIDMT-SNAWJCMRSA-N

Compound name

4-O-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 15
References: 763
Patents: 255.07428 Da
Monoisotopic Mass: -0.9
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]+	256.08156	156.9
[M+Na]+	278.06350	163.6
[M+NH4]+	273.10810	160.3
[M+K]+	294.03744	162.8
[M-H]-	254.06700	153.2
[M+Na-2H]-	276.04895	156.4
[M]+	255.07373	156.0
[M]-	255.07483	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe