CID 203105

13887-61-1

Structural Information

Molecular Formula
C14H17NO5
SMILES
C1CC1NC(=O)OCC(C2COC3=CC=CC=C3O2)O
InChI
InChI=1S/C14H17NO5/c16-10(7-19-14(17)15-9-5-6-9)13-8-18-11-3-1-2-4-12(11)20-13/h1-4,9-10,13,16H,5-8H2,(H,15,17)
InChIKey
VCFPGQUWJMMYKA-UHFFFAOYSA-N
Compound name
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-cyclopropylcarbamate
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 159.0
[M+Na]+ 302.09992 165.1
[M-H]- 278.10342 166.5
[M+NH4]+ 297.14452 167.3
[M+K]+ 318.07386 164.8
[M+H-H2O]+ 262.10796 151.5
[M+HCOO]- 324.10890 176.0
[M+CH3COO]- 338.12455 199.9
[M+Na-2H]- 300.08537 165.1
[M]+ 279.11015 162.3
[M]- 279.11125 162.3
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.