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]+ 231.185576 152.3
[M+Na]+ 253.167518 156.6
[M-H]- 229.171024 158.5
[M+NH4]+ 248.212123 165.9
[M+K]+ 269.141458 155.4
[M+H-H2O]+ 213.175560 139.9
[M+HCOO]- 275.176501 171.7
[M+CH3COO]- 289.192151 194.7
[M+Na-2H]- 251.152966 155.2
[M]+ 230.17775142 155.8
[M]- 230.17884858 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