CID 203128

13973-71-2

Structural Information

Molecular Formula
C14H17NO5
SMILES
C=CCNC(=O)OCC(C1COC2=CC=CC=C2O1)O
InChI
InChI=1S/C14H17NO5/c1-2-7-15-14(17)19-8-10(16)13-9-18-11-5-3-4-6-12(11)20-13/h2-6,10,13,16H,1,7-9H2,(H,15,17)
InChIKey
VCTNHPKSHQKNAO-UHFFFAOYSA-N
Compound name
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1107 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 163.3
[M+Na]+ 302.09992 167.5
[M-H]- 278.10342 166.8
[M+NH4]+ 297.14452 176.2
[M+K]+ 318.07386 167.6
[M+H-H2O]+ 262.10796 156.1
[M+HCOO]- 324.10890 180.2
[M+CH3COO]- 338.12455 197.9
[M+Na-2H]- 300.08537 168.7
[M]+ 279.11015 164.4
[M]- 279.11125 164.4
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.