CID 2998378

Methyl 2-(3-oxopiperazin-2-yl)acetate

Structural Information

Molecular Formula
C7H12N2O3
SMILES
COC(=O)CC1C(=O)NCCN1
InChI
InChI=1S/C7H12N2O3/c1-12-6(10)4-5-7(11)9-3-2-8-5/h5,8H,2-4H2,1H3,(H,9,11)
InChIKey
IPEHBEGTVNYMPV-UHFFFAOYSA-N
Compound name
methyl 2-(3-oxopiperazin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

50
Patents

172.0848 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.092076 137.8
[M+Na]+ 195.074018 143.3
[M-H]- 171.077524 135.2
[M+NH4]+ 190.118623 153.7
[M+K]+ 211.047958 141.4
[M+H-H2O]+ 155.082060 131.1
[M+HCOO]- 217.083001 153.0
[M+CH3COO]- 231.098651 172.4
[M+Na-2H]- 193.059466 141.1
[M]+ 172.08425142 132.5
[M]- 172.08534858 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe