CID 7074739

2873-36-1

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1
InChI
InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9-/m0/s1
InChIKey
SZJNCZMRZAUNQT-IUCAKERBSA-N
Compound name
(3S,8aS)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

28
References

353
Patents

210.13683 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14411 149.9
[M+Na]+ 233.12605 158.5
[M+NH4]+ 228.17065 156.7
[M+K]+ 249.09999 155.6
[M-H]- 209.12955 148.8
[M+Na-2H]- 231.11150 150.3
[M]+ 210.13628 150.3
[M]- 210.13738 150.3
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