CID 15084

1,4-benzodioxan, 2-(1-(diethylamino)ethyl)-

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCN(CC)CCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C14H21NO2/c1-3-15(4-2)10-9-12-11-16-13-7-5-6-8-14(13)17-12/h5-8,12H,3-4,9-11H2,1-2H3
InChIKey
NFHDQVDHXKWZFG-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 156.3
[M+Na]+ 258.146448 161.3
[M-H]- 234.149954 162.4
[M+NH4]+ 253.191053 172.8
[M+K]+ 274.120388 162.0
[M+H-H2O]+ 218.154490 148.9
[M+HCOO]- 280.155431 176.2
[M+CH3COO]- 294.171081 198.1
[M+Na-2H]- 256.131896 163.4
[M]+ 235.15668142 158.8
[M]- 235.15777858 158.8
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.