CID 359404

3-methylidenepiperidine-2,6-dione

Structural Information

Molecular Formula
C6H7NO2
SMILES
C=C1CCC(=O)NC1=O
InChI
InChI=1S/C6H7NO2/c1-4-2-3-5(8)7-6(4)9/h1-3H2,(H,7,8,9)
InChIKey
FFERQCSBWBFDJA-UHFFFAOYSA-N
Compound name
3-methylidenepiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

125.047676 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 122.4
[M+Na]+ 148.036894 130.3
[M-H]- 124.040400 123.3
[M+NH4]+ 143.081499 142.7
[M+K]+ 164.010834 128.1
[M+H-H2O]+ 108.044936 117.2
[M+HCOO]- 170.045877 141.8
[M+CH3COO]- 184.061527 167.0
[M+Na-2H]- 146.022342 127.4
[M]+ 125.04712742 117.1
[M]- 125.04822458 117.1
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