CID 130002705

1822575-15-4

Structural Information

Molecular Formula
C7H12N2O3
SMILES
CN1CC(NCC1=O)C(=O)OC
InChI
InChI=1S/C7H12N2O3/c1-9-4-5(7(11)12-2)8-3-6(9)10/h5,8H,3-4H2,1-2H3
InChIKey
ZEMFVTKYEXRSHW-UHFFFAOYSA-N
Compound name
methyl 4-methyl-5-oxopiperazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0848 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.092076 136.4
[M+Na]+ 195.074018 143.4
[M-H]- 171.077524 135.7
[M+NH4]+ 190.118623 153.5
[M+K]+ 211.047958 142.4
[M+H-H2O]+ 155.082060 129.9
[M+HCOO]- 217.083001 153.2
[M+CH3COO]- 231.098651 176.1
[M+Na-2H]- 193.059466 139.6
[M]+ 172.08425142 133.5
[M]- 172.08534858 133.5
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.