CID 46941921

26626-89-1

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N1
InChI
InChI=1S/C10H16N2O2/c1-2-4-7-10(14)12-6-3-5-8(12)9(13)11-7/h7-8H,2-6H2,1H3,(H,11,13)/t7-,8-/m0/s1
InChIKey
XHSJAENZJRHKAH-YUMQZZPRSA-N
Compound name
(3S,8aS)-3-propyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 145.3
[M+Na]+ 219.11041 152.3
[M-H]- 195.11391 145.1
[M+NH4]+ 214.15501 164.3
[M+K]+ 235.08435 149.1
[M+H-H2O]+ 179.11845 138.8
[M+HCOO]- 241.11939 160.9
[M+CH3COO]- 255.13504 181.9
[M+Na-2H]- 217.09586 146.8
[M]+ 196.12064 141.1
[M]- 196.12174 141.1
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.