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]+ 231.185576 157.0
[M+Na]+ 253.167518 160.5
[M-H]- 229.171024 160.1
[M+NH4]+ 248.212123 174.7
[M+K]+ 269.141458 155.7
[M+H-H2O]+ 213.175560 147.6
[M+HCOO]- 275.176501 171.9
[M+CH3COO]- 289.192151 166.5
[M+Na-2H]- 251.152966 159.8
[M]+ 230.17775142 147.5
[M]- 230.17884858 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.