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]+ 154.122646 133.5
[M+Na]+ 176.104588 139.2
[M-H]- 152.108094 130.3
[M+NH4]+ 171.149193 160.7
[M+K]+ 192.078528 136.8
[M+H-H2O]+ 136.112630 129.7
[M+HCOO]- 198.113571 146.2
[M+CH3COO]- 212.129221 144.9
[M+Na-2H]- 174.090036 144.4
[M]+ 153.11482142 132.4
[M]- 153.11591858 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.