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

27
Patents

171.05316 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 132.5
[M+Na]+ 194.04238 139.7
[M-H]- 170.04588 133.3
[M+NH4]+ 189.08698 150.8
[M+K]+ 210.01632 138.7
[M+H-H2O]+ 154.05042 126.8
[M+HCOO]- 216.05136 151.1
[M+CH3COO]- 230.06701 174.6
[M+Na-2H]- 192.02783 135.9
[M]+ 171.05261 129.8
[M]- 171.05371 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