CID 58542325

7-benzyl-4,7-diazaspiro[2.5]octane

Structural Information

Molecular Formula
C13H18N2
SMILES
C1CC12CN(CCN2)CC3=CC=CC=C3
InChI
InChI=1S/C13H18N2/c1-2-4-12(5-3-1)10-15-9-8-14-13(11-15)6-7-13/h1-5,14H,6-11H2
InChIKey
XINDIUOJBNUZMM-UHFFFAOYSA-N
Compound name
7-benzyl-4,7-diazaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

202.147 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 152.7
[M+Na]+ 225.13622 159.8
[M-H]- 201.13972 157.1
[M+NH4]+ 220.18082 165.4
[M+K]+ 241.11016 155.8
[M+H-H2O]+ 185.14426 144.2
[M+HCOO]- 247.14520 169.5
[M+CH3COO]- 261.16085 163.0
[M+Na-2H]- 223.12167 159.1
[M]+ 202.14645 148.5
[M]- 202.14755 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe