CID 544550

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

Structural Information

Molecular Formula
C8H14N2O3
SMILES
CCOC(=O)CC1C(=O)NCCN1
InChI
InChI=1S/C8H14N2O3/c1-2-13-7(11)5-6-8(12)10-4-3-9-6/h6,9H,2-5H2,1H3,(H,10,12)
InChIKey
HNYRNJAZRKCHSC-UHFFFAOYSA-N
Compound name
ethyl 2-(3-oxopiperazin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

197
Patents

186.10045 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.107726 142.2
[M+Na]+ 209.089668 147.3
[M-H]- 185.093174 139.5
[M+NH4]+ 204.134273 157.6
[M+K]+ 225.063608 145.1
[M+H-H2O]+ 169.097710 135.3
[M+HCOO]- 231.098651 157.1
[M+CH3COO]- 245.114301 175.4
[M+Na-2H]- 207.075116 145.0
[M]+ 186.09990142 137.3
[M]- 186.10099858 137.3
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