CID 20566478

2173997-11-8

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1CNCCC1N2C(=O)C=CC2=O
InChI
InChI=1S/C9H12N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-2,7,10H,3-6H2
InChIKey
WPBUISBVAWHLGC-UHFFFAOYSA-N
Compound name
1-piperidin-4-ylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

180.08987 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 139.2
[M+Na]+ 203.079088 145.7
[M-H]- 179.082594 141.4
[M+NH4]+ 198.123693 157.2
[M+K]+ 219.053028 142.8
[M+H-H2O]+ 163.087130 131.7
[M+HCOO]- 225.088071 156.9
[M+CH3COO]- 239.103721 175.8
[M+Na-2H]- 201.064536 141.3
[M]+ 180.08932142 132.9
[M]- 180.09041858 132.9
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