CID 50999031

5-benzyl-2,5-diaza-spiro[3.4]octane dihydrochloride

Structural Information

Molecular Formula
C13H18N2
SMILES
C1CC2(CNC2)N(C1)CC3=CC=CC=C3
InChI
InChI=1S/C13H18N2/c1-2-5-12(6-3-1)9-15-8-4-7-13(15)10-14-11-13/h1-3,5-6,14H,4,7-11H2
InChIKey
DHKBHAIOOOGEIT-UHFFFAOYSA-N
Compound name
5-benzyl-2,5-diazaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 143.5
[M+Na]+ 225.13622 148.3
[M-H]- 201.13972 147.5
[M+NH4]+ 220.18082 156.5
[M+K]+ 241.11016 147.0
[M+H-H2O]+ 185.14426 131.0
[M+HCOO]- 247.14520 160.5
[M+CH3COO]- 261.16085 154.4
[M+Na-2H]- 223.12167 148.2
[M]+ 202.14645 146.3
[M]- 202.14755 146.3
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

No patent data available for this compound.