CID 73146465

3-(1-hydroxyethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CC(C1C(=O)N2CCCC2C(=O)N1)O
InChI
InChI=1S/C9H14N2O3/c1-5(12)7-9(14)11-4-2-3-6(11)8(13)10-7/h5-7,12H,2-4H2,1H3,(H,10,13)
InChIKey
UBLWFFBGMBRBMC-UHFFFAOYSA-N
Compound name
3-(1-hydroxyethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

198.10045 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 144.2
[M+Na]+ 221.089668 150.9
[M-H]- 197.093174 142.9
[M+NH4]+ 216.134273 162.3
[M+K]+ 237.063608 148.1
[M+H-H2O]+ 181.097710 138.3
[M+HCOO]- 243.098651 157.8
[M+CH3COO]- 257.114301 179.5
[M+Na-2H]- 219.075116 144.8
[M]+ 198.09990142 138.7
[M]- 198.10099858 138.7
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

No patent data available for this compound.