CID 200883

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

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCN(CC)CCOC1=CC=CC2=C1OCCO2
InChI
InChI=1S/C14H21NO3/c1-3-15(4-2)8-9-16-12-6-5-7-13-14(12)18-11-10-17-13/h5-7H,3-4,8-11H2,1-2H3
InChIKey
FUQARLGVJBZNAE-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
Patents

251.15215 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.159426 159.2
[M+Na]+ 274.141368 164.0
[M-H]- 250.144874 165.3
[M+NH4]+ 269.185973 174.9
[M+K]+ 290.115308 165.3
[M+H-H2O]+ 234.149410 151.6
[M+HCOO]- 296.150351 179.3
[M+CH3COO]- 310.166001 200.2
[M+Na-2H]- 272.126816 166.4
[M]+ 251.15160142 163.1
[M]- 251.15269858 163.1
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.