CID 82384230

8-benzyl-1-oxa-4,8-diazaspiro(5.5)undecane

Structural Information

Molecular Formula
C15H22N2O
SMILES
C1CC2(CNCCO2)CN(C1)CC3=CC=CC=C3
InChI
InChI=1S/C15H22N2O/c1-2-5-14(6-3-1)11-17-9-4-7-15(13-17)12-16-8-10-18-15/h1-3,5-6,16H,4,7-13H2
InChIKey
VHRYZWKTFXHRDQ-UHFFFAOYSA-N
Compound name
8-benzyl-1-oxa-4,8-diazaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 160.1
[M+Na]+ 269.16244 162.7
[M-H]- 245.16594 163.3
[M+NH4]+ 264.20704 173.7
[M+K]+ 285.13638 159.4
[M+H-H2O]+ 229.17048 149.9
[M+HCOO]- 291.17142 171.9
[M+CH3COO]- 305.18707 168.7
[M+Na-2H]- 267.14789 165.4
[M]+ 246.17267 150.3
[M]- 246.17377 150.3
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.