CID 15557

Brn 1328127

Structural Information

Molecular Formula

C₁₆H₂₁NO₆

SMILES

CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)N2CCCC2)OC

InChI

InChI=1S/C16H21NO6/c1-4-22-16(19)23-14-12(20-2)9-11(10-13(14)21-3)15(18)17-7-5-6-8-17/h9-10H,4-8H2,1-3H3

InChIKey

DUAIGLRNLPDQIN-UHFFFAOYSA-N

Compound name

[2,6-dimethoxy-4-(pyrrolidine-1-carbonyl)phenyl] ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.1369 Da
Monoisotopic Mass: 2.3
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]+	324.144176	172.8
[M+Na]+	346.126118	178.6
[M-H]-	322.129624	178.1
[M+NH4]+	341.170723	187.3
[M+K]+	362.100058	178.3
[M+H-H2O]+	306.134160	165.0
[M+HCOO]-	368.135101	192.7
[M+CH3COO]-	382.150751	205.3
[M+Na-2H]-	344.111566	171.5
[M]+	323.13635142	178.0
[M]-	323.13744858	178.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.