CID 13784119

1-ethylpiperidine-2,4-dione

Structural Information

Molecular Formula
C7H11NO2
SMILES
CCN1CCC(=O)CC1=O
InChI
InChI=1S/C7H11NO2/c1-2-8-4-3-6(9)5-7(8)10/h2-5H2,1H3
InChIKey
YSBKSRFISPYBQD-UHFFFAOYSA-N
Compound name
1-ethylpiperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

141.07898 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 127.3
[M+Na]+ 164.068198 134.9
[M-H]- 140.071704 129.4
[M+NH4]+ 159.112803 147.8
[M+K]+ 180.042138 134.0
[M+H-H2O]+ 124.076240 121.6
[M+HCOO]- 186.077181 147.7
[M+CH3COO]- 200.092831 173.5
[M+Na-2H]- 162.053646 132.3
[M]+ 141.07843142 125.0
[M]- 141.07952858 125.0
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