CID 139026872

5-benzyl-5-azaspiro[3.5]nonan-8-amine

Structural Information

Molecular Formula
C15H22N2
SMILES
C1CC2(C1)CC(CCN2CC3=CC=CC=C3)N
InChI
InChI=1S/C15H22N2/c16-14-7-10-17(15(11-14)8-4-9-15)12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2
InChIKey
KGFHESRNJAEHDI-UHFFFAOYSA-N
Compound name
5-benzyl-5-azaspiro[3.5]nonan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1783 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.185576 153.0
[M+Na]+ 253.167518 156.6
[M-H]- 229.171024 158.6
[M+NH4]+ 248.212123 164.6
[M+K]+ 269.141458 155.6
[M+H-H2O]+ 213.175560 139.7
[M+HCOO]- 275.176501 170.2
[M+CH3COO]- 289.192151 195.1
[M+Na-2H]- 251.152966 157.4
[M]+ 230.17775142 154.3
[M]- 230.17884858 154.3
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.