CID 122163204

{6-benzyl-6-azaspiro[3.4]octan-8-yl}methanamine

Structural Information

Molecular Formula
C15H22N2
SMILES
C1CC2(C1)CN(CC2CN)CC3=CC=CC=C3
InChI
InChI=1S/C15H22N2/c16-9-14-11-17(12-15(14)7-4-8-15)10-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2
InChIKey
GMASNXQZSDUFSG-UHFFFAOYSA-N
Compound name
(6-benzyl-6-azaspiro[3.4]octan-8-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

230.1783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18558 152.3
[M+Na]+ 253.16752 156.6
[M-H]- 229.17102 158.5
[M+NH4]+ 248.21212 165.9
[M+K]+ 269.14146 155.4
[M+H-H2O]+ 213.17556 139.9
[M+HCOO]- 275.17650 171.7
[M+CH3COO]- 289.19215 194.7
[M+Na-2H]- 251.15297 155.2
[M]+ 230.17775 155.8
[M]- 230.17885 155.8
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

patents stripe