CID 203104

13887-60-0

Structural Information

Molecular Formula
C14H19NO5
SMILES
CCCNC(=O)OCC(C1COC2=CC=CC=C2O1)O
InChI
InChI=1S/C14H19NO5/c1-2-7-15-14(17)19-8-10(16)13-9-18-11-5-3-4-6-12(11)20-13/h3-6,10,13,16H,2,7-9H2,1H3,(H,15,17)
InChIKey
FUTJWOQQAQVKAN-UHFFFAOYSA-N
Compound name
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1263 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.133576 164.5
[M+Na]+ 304.115518 168.4
[M-H]- 280.119024 168.0
[M+NH4]+ 299.160123 177.4
[M+K]+ 320.089458 169.2
[M+H-H2O]+ 264.123560 157.2
[M+HCOO]- 326.124501 181.3
[M+CH3COO]- 340.140151 198.7
[M+Na-2H]- 302.100966 169.9
[M]+ 281.12575142 166.3
[M]- 281.12684858 166.3
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.