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
1
Annotation Hits

0
References

86
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 168.0
[M+Na]+ 316.15194 175.5
[M-H]- 292.15544 170.2
[M+NH4]+ 311.19654 184.6
[M+K]+ 332.12588 172.9
[M+H-H2O]+ 276.15998 161.8
[M+HCOO]- 338.16092 187.9
[M+CH3COO]- 352.17657 205.9
[M+Na-2H]- 314.13739 164.7
[M]+ 293.16217 173.5
[M]- 293.16327 173.5
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