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

102
Patents

251.15215 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.2
[M+Na]+ 274.14137 164.0
[M-H]- 250.14487 165.3
[M+NH4]+ 269.18597 174.9
[M+K]+ 290.11531 165.3
[M+H-H2O]+ 234.14941 151.6
[M+HCOO]- 296.15035 179.3
[M+CH3COO]- 310.16600 200.2
[M+Na-2H]- 272.12682 166.4
[M]+ 251.15160 163.1
[M]- 251.15270 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.