CID 19291

Brn 1648769

Structural Information

Molecular Formula
C15H21NO2
SMILES
C1CCCN(CC1)CC2COC3=CC=CC=C3O2
InChI
InChI=1S/C15H21NO2/c1-2-6-10-16(9-5-1)11-13-12-17-14-7-3-4-8-15(14)18-13/h3-4,7-8,13H,1-2,5-6,9-12H2
InChIKey
CFWIHUFVMSAPNI-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 153.9
[M+Na]+ 270.146448 156.3
[M-H]- 246.149954 160.5
[M+NH4]+ 265.191053 166.5
[M+K]+ 286.120388 158.9
[M+H-H2O]+ 230.154490 146.3
[M+HCOO]- 292.155431 167.5
[M+CH3COO]- 306.171081 163.8
[M+Na-2H]- 268.131896 159.6
[M]+ 247.15668142 146.9
[M]- 247.15777858 146.9
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.