CID 3020716

85419-41-6

Structural Information

Molecular Formula

C₁₄H₁₉NO₅

SMILES

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

InChI

InChI=1S/C14H19NO5/c1-9(2)14(18)20-8-7-19-6-5-15-12(16)10(3)11(4)13(15)17/h1,5-8H2,2-4H3

InChIKey

BBCPYOJPFVNCMM-UHFFFAOYSA-N

Compound name

2-[2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 281.1263 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]+	282.133576	161.3
[M+Na]+	304.115518	169.4
[M-H]-	280.119024	163.8
[M+NH4]+	299.160123	178.2
[M+K]+	320.089458	167.9
[M+H-H2O]+	264.123560	155.3
[M+HCOO]-	326.124501	182.0
[M+CH3COO]-	340.140151	202.1
[M+Na-2H]-	302.100966	159.1
[M]+	281.12575142	167.5
[M]-	281.12684858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe