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

24
Patents

121.052765 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06004 122.6
[M+Na]+ 144.04198 131.9
[M-H]- 120.04549 124.9
[M+NH4]+ 139.08659 147.7
[M+K]+ 160.01592 129.5
[M+H-H2O]+ 104.05002 117.7
[M+HCOO]- 166.05097 145.4
[M+CH3COO]- 180.06662 137.2
[M+Na-2H]- 142.02743 127.8
[M]+ 121.05222 120.5
[M]- 121.05331 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