CID 138991542

2309433-00-7

Structural Information

Molecular Formula
C6H9N3O2
SMILES
C1[C@@H]2[C@H](CN1)NC(=O)C(=O)N2
InChI
InChI=1S/C6H9N3O2/c10-5-6(11)9-4-2-7-1-3(4)8-5/h3-4,7H,1-2H2,(H,8,10)(H,9,11)/t3-,4+
InChIKey
BNLJMVNSLBCHAX-ZXZARUISSA-N
Compound name
(4aS,7aR)-4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.06947 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 133.6
[M+Na]+ 178.05869 141.9
[M+NH4]+ 173.10329 139.7
[M+K]+ 194.03263 140.0
[M-H]- 154.06219 131.0
[M+Na-2H]- 176.04414 134.1
[M]+ 155.06892 133.3
[M]- 155.07002 133.3
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.