CID 160591

1,3-dimethyl-2-piperidinone

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1CCCN(C1=O)C
InChI
InChI=1S/C7H13NO/c1-6-4-3-5-8(2)7(6)9/h6H,3-5H2,1-2H3
InChIKey
RJLKIAGOYBARJG-UHFFFAOYSA-N
Compound name
1,3-dimethylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

2060
Patents

127.09972 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 125.7
[M+Na]+ 150.088938 133.1
[M-H]- 126.092444 127.9
[M+NH4]+ 145.133543 146.9
[M+K]+ 166.062878 132.3
[M+H-H2O]+ 110.096980 120.1
[M+HCOO]- 172.097921 145.7
[M+CH3COO]- 186.113571 172.4
[M+Na-2H]- 148.074386 130.7
[M]+ 127.09917142 122.6
[M]- 127.10026858 122.6
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

patents stripe