CID 10680257

6-benzyl-6-azaspiro[3.4]octan-8-amine dihydrochloride

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CC2(C1)CN(CC2N)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c15-13-10-16(11-14(13)7-4-8-14)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,15H2
InChIKey
IHUZCRJPOZAPDW-UHFFFAOYSA-N
Compound name
6-benzyl-6-azaspiro[3.4]octan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

216.16264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 147.8
[M+Na]+ 239.151858 152.5
[M-H]- 215.155364 154.2
[M+NH4]+ 234.196463 161.9
[M+K]+ 255.125798 151.5
[M+H-H2O]+ 199.159900 135.6
[M+HCOO]- 261.160841 167.5
[M+CH3COO]- 275.176491 191.8
[M+Na-2H]- 237.137306 151.2
[M]+ 216.16209142 151.0
[M]- 216.16318858 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

patents stripe