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 149.9
[M+NH4]+ 191.15427 149.2
[M+K]+ 212.08361 146.0
[M-H]- 172.11317 141.5
[M+Na-2H]- 194.09512 143.6
[M]+ 173.11990 141.0
[M]- 173.12100 141.0
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.