CID 52416415

9-benzyl-6,9-diazaspiro[4.5]decane

Structural Information

Molecular Formula
C15H22N2
SMILES
C1CCC2(C1)CN(CCN2)CC3=CC=CC=C3
InChI
InChI=1S/C15H22N2/c1-2-6-14(7-3-1)12-17-11-10-16-15(13-17)8-4-5-9-15/h1-3,6-7,16H,4-5,8-13H2
InChIKey
KHJUEFXVUZMIBB-UHFFFAOYSA-N
Compound name
9-benzyl-6,9-diazaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18558 157.0
[M+Na]+ 253.16752 160.5
[M-H]- 229.17102 160.1
[M+NH4]+ 248.21212 174.7
[M+K]+ 269.14146 155.7
[M+H-H2O]+ 213.17556 147.6
[M+HCOO]- 275.17650 171.9
[M+CH3COO]- 289.19215 166.5
[M+Na-2H]- 251.15297 159.8
[M]+ 230.17775 147.5
[M]- 230.17885 147.5
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.