CID 179570

4-ethylpiperidin-2-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CCC1CCNC(=O)C1
InChI
InChI=1S/C7H13NO/c1-2-6-3-4-8-7(9)5-6/h6H,2-5H2,1H3,(H,8,9)
InChIKey
PCSOIFCXHXFRPF-UHFFFAOYSA-N
Compound name
4-ethylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
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

literature stripe

Patent stripe

patents stripe