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]+ 181.097146 139.8
[M+Na]+ 203.079088 147.7
[M-H]- 179.082594 139.9
[M+NH4]+ 198.123693 159.5
[M+K]+ 219.053028 144.1
[M+H-H2O]+ 163.087130 133.6
[M+HCOO]- 225.088071 156.0
[M+CH3COO]- 239.103721 177.3
[M+Na-2H]- 201.064536 141.9
[M]+ 180.08932142 134.5
[M]- 180.09041858 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.