CID 131753031

(s)-3-ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C/C=C/1\C(=O)N2CCCC2C(=O)N1
InChI
InChI=1S/C9H12N2O2/c1-2-6-9(13)11-5-3-4-7(11)8(12)10-6/h2,7H,3-5H2,1H3,(H,10,12)/b6-2+
InChIKey
ZNFUNIIHSUSXNE-QHHAFSJGSA-N
Compound name
(3E)-3-ethylidene-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 139.8
[M+Na]+ 203.07909 147.7
[M-H]- 179.08259 139.9
[M+NH4]+ 198.12369 159.5
[M+K]+ 219.05303 144.1
[M+H-H2O]+ 163.08713 133.6
[M+HCOO]- 225.08807 156.0
[M+CH3COO]- 239.10372 177.3
[M+Na-2H]- 201.06454 141.9
[M]+ 180.08932 134.5
[M]- 180.09042 134.5
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.