CID 67234366

Rac-(1r,4r,7r)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine

Structural Information

Molecular Formula
C13H18N2
SMILES
C1C[C@@H]2[C@@H]([C@H]1CN2CC3=CC=CC=C3)N
InChI
InChI=1S/C13H18N2/c14-13-11-6-7-12(13)15(9-11)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t11-,12-,13-/m1/s1
InChIKey
RLVKNSFGRHNZJI-JHJVBQTASA-N
Compound name
(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 146.1
[M+Na]+ 225.13622 152.7
[M-H]- 201.13972 150.3
[M+NH4]+ 220.18082 168.6
[M+K]+ 241.11016 148.9
[M+H-H2O]+ 185.14426 139.5
[M+HCOO]- 247.14520 166.9
[M+CH3COO]- 261.16085 158.5
[M+Na-2H]- 223.12167 148.5
[M]+ 202.14645 142.6
[M]- 202.14755 142.6
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