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]+ 250.10739 152.6
[M+Na]+ 272.08933 156.1
[M-H]- 248.09283 161.1
[M+NH4]+ 267.13393 165.5
[M+K]+ 288.06327 161.8
[M+H-H2O]+ 232.09737 145.9
[M+HCOO]- 294.09831 173.0
[M+CH3COO]- 308.11396 194.1
[M+Na-2H]- 270.07478 158.9
[M]+ 249.09956 150.5
[M]- 249.10066 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.