CID 165638527

1-benzyl-3-bromo-8-oxa-1-azaspiro[4.5]decane

Structural Information

Molecular Formula
C15H20BrNO
SMILES
C1COCCC12CC(CN2CC3=CC=CC=C3)Br
InChI
InChI=1S/C15H20BrNO/c16-14-10-15(6-8-18-9-7-15)17(12-14)11-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKey
IRBIPSLUWBVSOS-UHFFFAOYSA-N
Compound name
1-benzyl-3-bromo-8-oxa-1-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0728 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08008 168.9
[M+Na]+ 332.06202 177.0
[M-H]- 308.06552 178.2
[M+NH4]+ 327.10662 188.4
[M+K]+ 348.03596 167.0
[M+H-H2O]+ 292.07006 168.0
[M+HCOO]- 354.07100 184.0
[M+CH3COO]- 368.08665 181.4
[M+Na-2H]- 330.04747 173.1
[M]+ 309.07225 182.5
[M]- 309.07335 182.5
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.