CID 200889

2-(1,4-benzodioxan-6-yloxy)triethylamine hydrochloride

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCN(CC)CCOC1=CC2=C(C=C1)OCCO2
InChI
InChI=1S/C14H21NO3/c1-3-15(4-2)7-8-16-12-5-6-13-14(11-12)18-10-9-17-13/h5-6,11H,3-4,7-10H2,1-2H3
InChIKey
YOTIFHVPFDAAAU-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 158.4
[M+Na]+ 274.14137 170.2
[M+NH4]+ 269.18597 166.8
[M+K]+ 290.11531 163.9
[M-H]- 250.14487 164.2
[M+Na-2H]- 272.12682 162.9
[M]+ 251.15160 161.7
[M]- 251.15270 161.7
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.