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

71
Patents

202.147 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 146.8
[M+Na]+ 225.136218 152.0
[M-H]- 201.139724 147.7
[M+NH4]+ 220.180823 165.5
[M+K]+ 241.110158 147.3
[M+H-H2O]+ 185.144260 138.7
[M+HCOO]- 247.145201 162.1
[M+CH3COO]- 261.160851 157.3
[M+Na-2H]- 223.121666 151.3
[M]+ 202.14645142 140.8
[M]- 202.14754858 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