CID 75040877

Methyl 5-oxopiperazine-2-carboxylate

Structural Information

Molecular Formula
C6H10N2O3
SMILES
COC(=O)C1CNC(=O)CN1
InChI
InChI=1S/C6H10N2O3/c1-11-6(10)4-2-8-5(9)3-7-4/h4,7H,2-3H2,1H3,(H,8,9)
InChIKey
KLAVLUWNPFSXTG-UHFFFAOYSA-N
Compound name
methyl 5-oxopiperazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.06914 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07642 133.3
[M+Na]+ 181.05836 139.3
[M-H]- 157.06186 131.0
[M+NH4]+ 176.10296 149.9
[M+K]+ 197.03230 137.6
[M+H-H2O]+ 141.06640 126.8
[M+HCOO]- 203.06734 148.9
[M+CH3COO]- 217.08299 169.3
[M+Na-2H]- 179.04381 137.2
[M]+ 158.06859 127.7
[M]- 158.06969 127.7
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

No patent data available for this compound.