CID 25780

2-((6-allyl-1,4-benzodioxan-5-yl)oxy)diethylamine hydrochloride

Structural Information

Molecular Formula
C15H21NO3
SMILES
CCNCCOC1=C(C=CC2=C1OCCO2)CC=C
InChI
InChI=1S/C15H21NO3/c1-3-5-12-6-7-13-15(19-11-10-17-13)14(12)18-9-8-16-4-2/h3,6-7,16H,1,4-5,8-11H2,2H3
InChIKey
CUOTZHUFNVSQEE-UHFFFAOYSA-N
Compound name
N-ethyl-2-[(6-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 162.3
[M+Na]+ 286.141348 167.8
[M-H]- 262.144854 167.1
[M+NH4]+ 281.185953 177.1
[M+K]+ 302.115288 166.9
[M+H-H2O]+ 246.149390 154.9
[M+HCOO]- 308.150331 181.7
[M+CH3COO]- 322.165981 200.3
[M+Na-2H]- 284.126796 169.1
[M]+ 263.15158142 165.1
[M]- 263.15267858 165.1
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.