CID 165941125

Rac-(1r,4r,5r)-5-amino-5-methylbicyclo[2.2.2]octan-2-one hydrochloride

Structural Information

Molecular Formula
C9H15NO
SMILES
C[C@]1(C[C@H]2CC[C@@H]1CC2=O)N
InChI
InChI=1S/C9H15NO/c1-9(10)5-6-2-3-7(9)4-8(6)11/h6-7H,2-5,10H2,1H3/t6-,7-,9-/m1/s1
InChIKey
JFWZMYRXBOGIJZ-ZXFLCMHBSA-N
Compound name
(1R,4R,5R)-5-amino-5-methylbicyclo[2.2.2]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 133.5
[M+Na]+ 176.10459 139.2
[M-H]- 152.10809 130.3
[M+NH4]+ 171.14919 160.7
[M+K]+ 192.07853 136.8
[M+H-H2O]+ 136.11263 129.7
[M+HCOO]- 198.11357 146.2
[M+CH3COO]- 212.12922 144.9
[M+Na-2H]- 174.09004 144.4
[M]+ 153.11482 132.4
[M]- 153.11592 132.4
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.