CID 492916

(6r,7s)-7-methyl-6-phenyl-bicyclo[3.2.1]octan-8-amine

Structural Information

Molecular Formula
C15H21N
SMILES
C[C@H]1[C@H](C2CCCC1C2N)C3=CC=CC=C3
InChI
InChI=1S/C15H21N/c1-10-12-8-5-9-13(15(12)16)14(10)11-6-3-2-4-7-11/h2-4,6-7,10,12-15H,5,8-9,16H2,1H3/t10-,12?,13?,14+,15?/m1/s1
InChIKey
XZEAQDRONWRSMT-ZFVDSNKISA-N
Compound name
(6S,7R)-6-methyl-7-phenylbicyclo[3.2.1]octan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 150.4
[M+Na]+ 238.15662 156.2
[M-H]- 214.16012 155.5
[M+NH4]+ 233.20122 172.1
[M+K]+ 254.13056 151.6
[M+H-H2O]+ 198.16466 144.3
[M+HCOO]- 260.16560 169.5
[M+CH3COO]- 274.18125 162.2
[M+Na-2H]- 236.14207 152.6
[M]+ 215.16685 145.0
[M]- 215.16795 145.0
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.