CID 325088

1h,2h,3h,4h,5h,6h-cyclopenta[c]pyrrole-1,3-dione

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1CC2=C(C1)C(=O)NC2=O
InChI
InChI=1S/C7H7NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h1-3H2,(H,8,9,10)
InChIKey
CEYNDUVDMBNIDN-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

137.04768 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 126.2
[M+Na]+ 160.03690 135.5
[M-H]- 136.04040 128.4
[M+NH4]+ 155.08150 150.6
[M+K]+ 176.01084 133.1
[M+H-H2O]+ 120.04494 121.5
[M+HCOO]- 182.04588 147.8
[M+CH3COO]- 196.06153 168.5
[M+Na-2H]- 158.02235 129.8
[M]+ 137.04713 123.7
[M]- 137.04823 123.7
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