CID 14809954

3,6-dimethylpiperidin-2-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1CCC(NC1=O)C
InChI
InChI=1S/C7H13NO/c1-5-3-4-6(2)8-7(5)9/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKey
VYWOCYQKOFMHKF-UHFFFAOYSA-N
Compound name
3,6-dimethylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

127.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 126.9
[M+Na]+ 150.088938 133.8
[M-H]- 126.092444 127.6
[M+NH4]+ 145.133543 147.3
[M+K]+ 166.062878 132.1
[M+H-H2O]+ 110.096980 121.5
[M+HCOO]- 172.097921 145.3
[M+CH3COO]- 186.113571 169.7
[M+Na-2H]- 148.074386 131.3
[M]+ 127.09917142 121.9
[M]- 127.10026858 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

No literature data available for this compound.

Patent stripe

patents stripe