CID 12079898

8-benzyl-3,8-diazabicyclo[3.2.1]octane

Structural Information

Molecular Formula
C13H18N2
SMILES
C1CC2CNCC1N2CC3=CC=CC=C3
InChI
InChI=1S/C13H18N2/c1-2-4-11(5-3-1)10-15-12-6-7-13(15)9-14-8-12/h1-5,12-14H,6-10H2
InChIKey
KQCFTYDLIJTKLE-UHFFFAOYSA-N
Compound name
8-benzyl-3,8-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

202.147 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 146.8
[M+Na]+ 225.13622 152.0
[M-H]- 201.13972 147.7
[M+NH4]+ 220.18082 165.5
[M+K]+ 241.11016 147.3
[M+H-H2O]+ 185.14426 138.7
[M+HCOO]- 247.14520 162.1
[M+CH3COO]- 261.16085 157.3
[M+Na-2H]- 223.12167 151.3
[M]+ 202.14645 140.8
[M]- 202.14755 140.8
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