CID 138040271

5-benzyl-5-azaspiro[3.4]octan-7-amine

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CC2(C1)CC(CN2CC3=CC=CC=C3)N
InChI
InChI=1S/C14H20N2/c15-13-9-14(7-4-8-14)16(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,15H2
InChIKey
UGDZRMZTJLTQBV-UHFFFAOYSA-N
Compound name
5-benzyl-5-azaspiro[3.4]octan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 147.8
[M+Na]+ 239.15186 152.5
[M-H]- 215.15536 154.2
[M+NH4]+ 234.19646 161.9
[M+K]+ 255.12580 151.5
[M+H-H2O]+ 199.15990 135.6
[M+HCOO]- 261.16084 167.5
[M+CH3COO]- 275.17649 191.8
[M+Na-2H]- 237.13731 151.2
[M]+ 216.16209 151.0
[M]- 216.16319 151.0
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.