CID 5463785

Ec 404-870-6

Structural Information

Molecular Formula

C₁₆H₂₃NO₄

SMILES

CC1=C(C(=O)N(C1=O)CCCCCCOC(=O)C(=C)C)C

InChI

InChI=1S/C16H23NO4/c1-11(2)16(20)21-10-8-6-5-7-9-17-14(18)12(3)13(4)15(17)19/h1,5-10H2,2-4H3

InChIKey

SGONPVYGYALKRZ-UHFFFAOYSA-N

Compound name

6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 126
Patents: 293.16272 Da
Monoisotopic Mass: 2.5
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]+	294.169996	168.0
[M+Na]+	316.151938	175.5
[M-H]-	292.155444	170.2
[M+NH4]+	311.196543	184.6
[M+K]+	332.125878	172.9
[M+H-H2O]+	276.159980	161.8
[M+HCOO]-	338.160921	187.9
[M+CH3COO]-	352.176571	205.9
[M+Na-2H]-	314.137386	164.7
[M]+	293.16217142	173.5
[M]-	293.16326858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe