CID 5463785

63740-41-0

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
1
Annotation Hits

0
References

68
Patents

293.16272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 171.4
[M+Na]+ 316.15194 179.7
[M+NH4]+ 311.19654 175.5
[M+K]+ 332.12588 177.0
[M-H]- 292.15544 169.2
[M+Na-2H]- 314.13739 171.1
[M]+ 293.16217 171.4
[M]- 293.16327 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe