CID 203106

13887-62-2

Structural Information

Molecular Formula
C13H17NO5
SMILES
CCNC(=O)OCC(C1COC2=CC=CC=C2O1)O
InChI
InChI=1S/C13H17NO5/c1-2-14-13(16)18-7-9(15)12-8-17-10-5-3-4-6-11(10)19-12/h3-6,9,12,15H,2,7-8H2,1H3,(H,14,16)
InChIKey
PGDADWGXMYAIFG-UHFFFAOYSA-N
Compound name
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1107 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 159.8
[M+Na]+ 290.09992 164.2
[M-H]- 266.10342 163.5
[M+NH4]+ 285.14452 173.3
[M+K]+ 306.07386 165.1
[M+H-H2O]+ 250.10796 152.7
[M+HCOO]- 312.10890 176.9
[M+CH3COO]- 326.12455 195.7
[M+Na-2H]- 288.08537 165.8
[M]+ 267.11015 161.3
[M]- 267.11125 161.3
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.