CID 19647

1-(1,4-benzodioxan-2-ylmethyl)octahydroazocine

Structural Information

Molecular Formula
C16H23NO2
SMILES
C1CCCN(CCC1)CC2COC3=CC=CC=C3O2
InChI
InChI=1S/C16H23NO2/c1-2-6-10-17(11-7-3-1)12-14-13-18-15-8-4-5-9-16(15)19-14/h4-5,8-9,14H,1-3,6-7,10-13H2
InChIKey
YXJCIUZUGUSPRL-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 156.5
[M+Na]+ 284.16210 160.5
[M+NH4]+ 279.20670 159.4
[M+K]+ 300.13604 159.1
[M-H]- 260.16560 158.7
[M+Na-2H]- 282.14755 159.2
[M]+ 261.17233 157.7
[M]- 261.17343 157.7
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.