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]+ 203.154276 146.1
[M+Na]+ 225.136218 152.7
[M-H]- 201.139724 150.3
[M+NH4]+ 220.180823 168.6
[M+K]+ 241.110158 148.9
[M+H-H2O]+ 185.144260 139.5
[M+HCOO]- 247.145201 166.9
[M+CH3COO]- 261.160851 158.5
[M+Na-2H]- 223.121666 148.5
[M]+ 202.14645142 142.6
[M]- 202.14754858 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