CID 82418941

1367941-46-5

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

7
Patents

122.04801 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.055286 122.9
[M+Na]+ 145.037228 132.2
[M-H]- 121.040734 122.6
[M+NH4]+ 140.081833 145.8
[M+K]+ 161.011168 129.2
[M+H-H2O]+ 105.045270 117.3
[M+HCOO]- 167.046211 143.3
[M+CH3COO]- 181.061861 136.5
[M+Na-2H]- 143.022676 127.9
[M]+ 122.04746142 119.1
[M]- 122.04855858 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