CID 21922819

1-ethyl-2-methylpiperidin-4-one

Structural Information

Molecular Formula
C8H15NO
SMILES
CCN1CCC(=O)CC1C
InChI
InChI=1S/C8H15NO/c1-3-9-5-4-8(10)6-7(9)2/h7H,3-6H2,1-2H3
InChIKey
XTKSUNDTBJILLT-UHFFFAOYSA-N
Compound name
1-ethyl-2-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 130.3
[M+Na]+ 164.10459 137.3
[M-H]- 140.10809 132.3
[M+NH4]+ 159.14919 151.0
[M+K]+ 180.07853 136.3
[M+H-H2O]+ 124.11263 124.5
[M+HCOO]- 186.11357 150.0
[M+CH3COO]- 200.12922 175.4
[M+Na-2H]- 162.09004 134.8
[M]+ 141.11482 127.6
[M]- 141.11592 127.6
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