CID 3039672

Brn 1158719

Structural Information

Molecular Formula

C₁₄H₁₇NO₆

SMILES

CC(=O)OC1=C(C=C(C=C1OC)C(=O)N2CCOC2)OC

InChI

InChI=1S/C14H17NO6/c1-9(16)21-13-11(18-2)6-10(7-12(13)19-3)14(17)15-4-5-20-8-15/h6-7H,4-5,8H2,1-3H3

InChIKey

IAFRHQTXAQEFCH-UHFFFAOYSA-N

Compound name

[2,6-dimethoxy-4-(1,3-oxazolidine-3-carbonyl)phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.1056 Da
Monoisotopic Mass: 0.8
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]+	296.112876	163.8
[M+Na]+	318.094818	170.6
[M-H]-	294.098324	170.0
[M+NH4]+	313.139423	178.1
[M+K]+	334.068758	171.5
[M+H-H2O]+	278.102860	156.5
[M+HCOO]-	340.103801	183.5
[M+CH3COO]-	354.119451	200.2
[M+Na-2H]-	316.080266	164.2
[M]+	295.10505142	169.0
[M]-	295.10614858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.