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

177
Patents

127.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 127.4
[M+Na]+ 150.08894 133.3
[M-H]- 126.09244 127.7
[M+NH4]+ 145.13354 147.5
[M+K]+ 166.06288 131.6
[M+H-H2O]+ 110.09698 121.7
[M+HCOO]- 172.09792 145.8
[M+CH3COO]- 186.11357 168.6
[M+Na-2H]- 148.07439 132.5
[M]+ 127.09917 122.0
[M]- 127.10027 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