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

33
Patents

125.047676 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 122.4
[M+Na]+ 148.03689 130.3
[M-H]- 124.04040 123.3
[M+NH4]+ 143.08150 142.7
[M+K]+ 164.01083 128.1
[M+H-H2O]+ 108.04494 117.2
[M+HCOO]- 170.04588 141.8
[M+CH3COO]- 184.06153 167.0
[M+Na-2H]- 146.02234 127.4
[M]+ 125.04713 117.1
[M]- 125.04822 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