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
(4aR,7aS)-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 134.1
[M+Na]+ 178.05869 141.1
[M-H]- 154.06219 130.0
[M+NH4]+ 173.10329 151.6
[M+K]+ 194.03263 137.0
[M+H-H2O]+ 138.06673 127.5
[M+HCOO]- 200.06767 146.7
[M+CH3COO]- 214.08332 166.7
[M+Na-2H]- 176.04414 137.2
[M]+ 155.06892 125.0
[M]- 155.07002 125.0
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.