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]+ 280.117976 159.0
[M+Na]+ 302.099918 165.1
[M-H]- 278.103424 166.5
[M+NH4]+ 297.144523 167.3
[M+K]+ 318.073858 164.8
[M+H-H2O]+ 262.107960 151.5
[M+HCOO]- 324.108901 176.0
[M+CH3COO]- 338.124551 199.9
[M+Na-2H]- 300.085366 165.1
[M]+ 279.11015142 162.3
[M]- 279.11124858 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.