CID 201893

Brn 1318998

Structural Information

Molecular Formula

C₁₂H₁₅NO₄

SMILES

CNC(=O)OC1=CC=CC=C1C2OCCCO2

InChI

InChI=1S/C12H15NO4/c1-13-12(14)17-10-6-3-2-5-9(10)11-15-7-4-8-16-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,13,14)

InChIKey

RFZWBUUMFOZYDG-UHFFFAOYSA-N

Compound name

[2-(1,3-dioxan-2-yl)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 237.10011 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]+	238.10739	152.9
[M+Na]+	260.08933	164.1
[M+NH4]+	255.13393	160.2
[M+K]+	276.06327	159.4
[M-H]-	236.09283	158.9
[M+Na-2H]-	258.07478	158.5
[M]+	237.09956	156.0
[M]-	237.10066	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe