CID 122155636

Rac-(3r,6r)-3-ethyl-6-methylpiperidin-2-one

Structural Information

Molecular Formula
C8H15NO
SMILES
CC[C@@H]1CC[C@H](NC1=O)C
InChI
InChI=1S/C8H15NO/c1-3-7-5-4-6(2)9-8(7)10/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m1/s1
InChIKey
RXTOBTRQQPIIFE-RNFRBKRXSA-N
Compound name
(3R,6R)-3-ethyl-6-methylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.4
[M+Na]+ 164.10459 137.9
[M-H]- 140.10809 131.9
[M+NH4]+ 159.14919 151.3
[M+K]+ 180.07853 135.9
[M+H-H2O]+ 124.11263 125.9
[M+HCOO]- 186.11357 149.6
[M+CH3COO]- 200.12922 172.8
[M+Na-2H]- 162.09004 135.3
[M]+ 141.11482 126.8
[M]- 141.11592 126.8
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.