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]+ 248.16451 153.9
[M+Na]+ 270.14645 156.3
[M-H]- 246.14995 160.5
[M+NH4]+ 265.19105 166.5
[M+K]+ 286.12039 158.9
[M+H-H2O]+ 230.15449 146.3
[M+HCOO]- 292.15543 167.5
[M+CH3COO]- 306.17108 163.8
[M+Na-2H]- 268.13190 159.6
[M]+ 247.15668 146.9
[M]- 247.15778 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.