CID 137951685

251321-75-2

Structural Information

Molecular Formula
C12H15N
SMILES
C1[C@@H]2C[C@H]([C@@H]1C3=CC=CC=C3)NC2
InChI
InChI=1S/C12H15N/c1-2-4-10(5-3-1)11-6-9-7-12(11)13-8-9/h1-5,9,11-13H,6-8H2/t9-,11+,12-/m1/s1
InChIKey
FJFYGZCKOSTKCQ-ADEWGFFLSA-N
Compound name
(1R,4R,6S)-6-phenyl-2-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 138.8
[M+Na]+ 196.10967 145.5
[M-H]- 172.11317 142.1
[M+NH4]+ 191.15427 162.1
[M+K]+ 212.08361 141.4
[M+H-H2O]+ 156.11771 132.8
[M+HCOO]- 218.11865 158.1
[M+CH3COO]- 232.13430 151.4
[M+Na-2H]- 194.09512 142.3
[M]+ 173.11990 134.4
[M]- 173.12100 134.4
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.