CID 239961

50975-79-6

Structural Information

Molecular Formula
C8H14N2O4
SMILES
C(CO)C1C(=O)NC(C(=O)N1)CCO
InChI
InChI=1S/C8H14N2O4/c11-3-1-5-7(13)10-6(2-4-12)8(14)9-5/h5-6,11-12H,1-4H2,(H,9,14)(H,10,13)
InChIKey
YCISBBFTTVKSNK-UHFFFAOYSA-N
Compound name
3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

51
Patents

202.09535 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10263 145.9
[M+Na]+ 225.08457 152.0
[M-H]- 201.08807 140.9
[M+NH4]+ 220.12917 159.6
[M+K]+ 241.05851 148.1
[M+H-H2O]+ 185.09261 139.6
[M+HCOO]- 247.09355 158.8
[M+CH3COO]- 261.10920 175.2
[M+Na-2H]- 223.07002 147.4
[M]+ 202.09480 140.2
[M]- 202.09590 140.2
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