CID 145913474

4-benzyl-4-azaspiro[2.5]octan-7-amine

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CN(C2(CC2)CC1N)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c15-13-6-9-16(14(10-13)7-8-14)11-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2
InChIKey
DGVNSRUPPQGQSY-UHFFFAOYSA-N
Compound name
4-benzyl-4-azaspiro[2.5]octan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

216.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 151.6
[M+Na]+ 239.151858 158.8
[M-H]- 215.155364 158.5
[M+NH4]+ 234.196463 165.6
[M+K]+ 255.125798 155.1
[M+H-H2O]+ 199.159900 143.9
[M+HCOO]- 261.160841 171.2
[M+CH3COO]- 275.176491 162.7
[M+Na-2H]- 237.137306 157.2
[M]+ 216.16209142 148.0
[M]- 216.16318858 148.0
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