CID 100975212

1955523-34-8

Structural Information

Molecular Formula
C7H13NO
SMILES
C[C@@H]1CNC[C@@H](C1=O)C
InChI
InChI=1S/C7H13NO/c1-5-3-8-4-6(2)7(5)9/h5-6,8H,3-4H2,1-2H3/t5-,6+
InChIKey
AMGHHWQPWHGXHB-OLQVQODUSA-N
Compound name
(3R,5S)-3,5-dimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 126.9
[M+Na]+ 150.08894 133.8
[M-H]- 126.09244 127.6
[M+NH4]+ 145.13354 147.3
[M+K]+ 166.06288 132.1
[M+H-H2O]+ 110.09698 121.5
[M+HCOO]- 172.09792 145.3
[M+CH3COO]- 186.11357 169.7
[M+Na-2H]- 148.07439 131.3
[M]+ 127.09917 121.9
[M]- 127.10027 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.