CID 15889348

6-ethylpiperidin-2-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CCC1CCCC(=O)N1
InChI
InChI=1S/C7H13NO/c1-2-6-4-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)
InChIKey
PAHMYIHLZQRVHU-UHFFFAOYSA-N
Compound name
6-ethylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

127.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 127.4
[M+Na]+ 150.088938 133.3
[M-H]- 126.092444 127.7
[M+NH4]+ 145.133543 147.5
[M+K]+ 166.062878 131.6
[M+H-H2O]+ 110.096980 121.7
[M+HCOO]- 172.097921 145.8
[M+CH3COO]- 186.113571 168.6
[M+Na-2H]- 148.074386 132.5
[M]+ 127.09917142 122.0
[M]- 127.10026858 122.0
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