CID 11735696

Nnz-2591

Structural Information

Molecular Formula
C10H14N2O2
SMILES
C=CC[C@@]12CCCN1C(=O)CNC2=O
InChI
InChI=1S/C10H14N2O2/c1-2-4-10-5-3-6-12(10)8(13)7-11-9(10)14/h2H,1,3-7H2,(H,11,14)/t10-/m0/s1
InChIKey
WVKCGUOWPZAROG-JTQLQIEISA-N
Compound name
(8aR)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

33
Patents

194.10553 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 145.7
[M+Na]+ 217.09475 154.7
[M+NH4]+ 212.13935 154.0
[M+K]+ 233.06869 149.1
[M-H]- 193.09825 144.6
[M+Na-2H]- 215.08020 148.3
[M]+ 194.10498 146.3
[M]- 194.10608 146.3
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