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]+ 173.09208 137.8
[M+Na]+ 195.07402 143.3
[M-H]- 171.07752 135.2
[M+NH4]+ 190.11862 153.7
[M+K]+ 211.04796 141.4
[M+H-H2O]+ 155.08206 131.1
[M+HCOO]- 217.08300 153.0
[M+CH3COO]- 231.09865 172.4
[M+Na-2H]- 193.05947 141.1
[M]+ 172.08425 132.5
[M]- 172.08535 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.