CID 201894

O-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl methylcarbamate

Structural Information

Molecular Formula
C13H15NO4
SMILES
CNC(=O)OC1=CC=CC=C1C2OCC=CCO2
InChI
InChI=1S/C13H15NO4/c1-14-13(15)18-11-7-3-2-6-10(11)12-16-8-4-5-9-17-12/h2-7,12H,8-9H2,1H3,(H,14,15)
InChIKey
MIWDHMIFYCWVSC-UHFFFAOYSA-N
Compound name
[2-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.107386 152.6
[M+Na]+ 272.089328 156.1
[M-H]- 248.092834 161.1
[M+NH4]+ 267.133933 165.5
[M+K]+ 288.063268 161.8
[M+H-H2O]+ 232.097370 145.9
[M+HCOO]- 294.098311 173.0
[M+CH3COO]- 308.113961 194.1
[M+Na-2H]- 270.074776 158.9
[M]+ 249.09956142 150.5
[M]- 249.10065858 150.5
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

No patent data available for this compound.