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]+ 197.128466 145.3
[M+Na]+ 219.110408 152.3
[M-H]- 195.113914 145.1
[M+NH4]+ 214.155013 164.3
[M+K]+ 235.084348 149.1
[M+H-H2O]+ 179.118450 138.8
[M+HCOO]- 241.119391 160.9
[M+CH3COO]- 255.135041 181.9
[M+Na-2H]- 217.095856 146.8
[M]+ 196.12064142 141.1
[M]- 196.12173858 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.