CID 165672325

2751544-33-7

Structural Information

Molecular Formula
C13H17N
SMILES
C1[C@@H]2C[C@H]([C@H]1C[C@H]2N)C3=CC=CC=C3
InChI
InChI=1S/C13H17N/c14-13-8-10-6-11(13)7-12(10)9-4-2-1-3-5-9/h1-5,10-13H,6-8,14H2/t10-,11-,12+,13-/m1/s1
InChIKey
JKNZTRMURSUHIC-FVCCEPFGSA-N
Compound name
(1R,2R,4R,5R)-5-phenylbicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 142.1
[M+Na]+ 210.12532 148.8
[M-H]- 186.12882 147.8
[M+NH4]+ 205.16992 166.6
[M+K]+ 226.09926 144.9
[M+H-H2O]+ 170.13336 136.8
[M+HCOO]- 232.13430 164.2
[M+CH3COO]- 246.14995 155.3
[M+Na-2H]- 208.11077 144.7
[M]+ 187.13555 138.1
[M]- 187.13665 138.1
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.