CID 45092493

2h,4h,5h,6h-cyclopenta[c]pyrrol-4-one

Structural Information

Molecular Formula
C7H7NO
SMILES
C1CC(=O)C2=CNC=C21
InChI
InChI=1S/C7H7NO/c9-7-2-1-5-3-8-4-6(5)7/h3-4,8H,1-2H2
InChIKey
QJPNSFLVUNNYLF-UHFFFAOYSA-N
Compound name
5,6-dihydro-2H-cyclopenta[c]pyrrol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

121.052765 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.060041 122.6
[M+Na]+ 144.041983 131.9
[M-H]- 120.045489 124.9
[M+NH4]+ 139.086588 147.7
[M+K]+ 160.015923 129.5
[M+H-H2O]+ 104.050025 117.7
[M+HCOO]- 166.050966 145.4
[M+CH3COO]- 180.066616 137.2
[M+Na-2H]- 142.027431 127.8
[M]+ 121.05221642 120.5
[M]- 121.05331358 120.5
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