CID 203102

13887-58-6

Structural Information

Molecular Formula
C15H21NO5
SMILES
CCCCNC(=O)OCC(C1COC2=CC=CC=C2O1)O
InChI
InChI=1S/C15H21NO5/c1-2-3-8-16-15(18)20-9-11(17)14-10-19-12-6-4-5-7-13(12)21-14/h4-7,11,14,17H,2-3,8-10H2,1H3,(H,16,18)
InChIKey
OSHJUNVBBOHVAI-UHFFFAOYSA-N
Compound name
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14197 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.149246 169.2
[M+Na]+ 318.131188 172.7
[M-H]- 294.134694 172.5
[M+NH4]+ 313.175793 181.5
[M+K]+ 334.105128 173.2
[M+H-H2O]+ 278.139230 161.7
[M+HCOO]- 340.140171 185.6
[M+CH3COO]- 354.155821 201.6
[M+Na-2H]- 316.116636 174.1
[M]+ 295.14142142 171.3
[M]- 295.14251858 171.3
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.