CID 17952

2-(1,4-benzodioxan-5-yloxy)diethylamine hydrochloride

Structural Information

Molecular Formula
C12H17NO3
SMILES
CCNCCOC1=CC=CC2=C1OCCO2
InChI
InChI=1S/C12H17NO3/c1-2-13-6-7-14-10-4-3-5-11-12(10)16-9-8-15-11/h3-5,13H,2,6-9H2,1H3
InChIKey
NVBOMFYGAUXYPE-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 148.9
[M+Na]+ 246.11007 154.5
[M-H]- 222.11357 153.9
[M+NH4]+ 241.15467 165.1
[M+K]+ 262.08401 154.9
[M+H-H2O]+ 206.11811 141.9
[M+HCOO]- 268.11905 169.2
[M+CH3COO]- 282.13470 190.8
[M+Na-2H]- 244.09552 158.1
[M]+ 223.12030 151.0
[M]- 223.12140 151.0
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.