CID 10997480

Methyl 2,4-dioxopiperidine-3-carboxylate

Structural Information

Molecular Formula
C7H9NO4
SMILES
COC(=O)C1C(=O)CCNC1=O
InChI
InChI=1S/C7H9NO4/c1-12-7(11)5-4(9)2-3-8-6(5)10/h5H,2-3H2,1H3,(H,8,10)
InChIKey
DSWIHRDJTNMPEF-UHFFFAOYSA-N
Compound name
methyl 2,4-dioxopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

171.05316 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 132.5
[M+Na]+ 194.042378 139.7
[M-H]- 170.045884 133.3
[M+NH4]+ 189.086983 150.8
[M+K]+ 210.016318 138.7
[M+H-H2O]+ 154.050420 126.8
[M+HCOO]- 216.051361 151.1
[M+CH3COO]- 230.067011 174.6
[M+Na-2H]- 192.027826 135.9
[M]+ 171.05261142 129.8
[M]- 171.05370858 129.8
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