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

13
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 151.6
[M+Na]+ 239.15186 158.8
[M-H]- 215.15536 158.5
[M+NH4]+ 234.19646 165.6
[M+K]+ 255.12580 155.1
[M+H-H2O]+ 199.15990 143.9
[M+HCOO]- 261.16084 171.2
[M+CH3COO]- 275.17649 162.7
[M+Na-2H]- 237.13731 157.2
[M]+ 216.16209 148.0
[M]- 216.16319 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