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]+ 264.15941 162.3
[M+Na]+ 286.14135 167.8
[M-H]- 262.14485 167.1
[M+NH4]+ 281.18595 177.1
[M+K]+ 302.11529 166.9
[M+H-H2O]+ 246.14939 154.9
[M+HCOO]- 308.15033 181.7
[M+CH3COO]- 322.16598 200.3
[M+Na-2H]- 284.12680 169.1
[M]+ 263.15158 165.1
[M]- 263.15268 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.