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

6
Annotation Hits: 2
References: 64
Patents: 194.10553 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.11281	143.6
[M+Na]+	217.09475	151.0
[M-H]-	193.09825	143.3
[M+NH4]+	212.13935	164.3
[M+K]+	233.06869	147.3
[M+H-H2O]+	177.10279	137.5
[M+HCOO]-	239.10373	159.4
[M+CH3COO]-	253.11938	179.3
[M+Na-2H]-	215.08020	147.0
[M]+	194.10498	138.6
[M]-	194.10608	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe