CID 82418941

4,5-dihydropyrrolo[3,4-b]pyrrol-6(1h)-one

Structural Information

Molecular Formula
C6H6N2O
SMILES
C1C2=C(C(=O)N1)NC=C2
InChI
InChI=1S/C6H6N2O/c9-6-5-4(3-8-6)1-2-7-5/h1-2,7H,3H2,(H,8,9)
InChIKey
JSECHBDNJGLARA-UHFFFAOYSA-N
Compound name
4,5-dihydro-1H-pyrrolo[3,4-b]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

122.04801 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 122.9
[M+Na]+ 145.03723 132.2
[M-H]- 121.04073 122.6
[M+NH4]+ 140.08183 145.8
[M+K]+ 161.01117 129.2
[M+H-H2O]+ 105.04527 117.3
[M+HCOO]- 167.04621 143.3
[M+CH3COO]- 181.06186 136.5
[M+Na-2H]- 143.02268 127.9
[M]+ 122.04746 119.1
[M]- 122.04856 119.1
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

patents stripe