CID 110709

5763-44-0

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC2C(C1)C(=O)NC2=O
InChI
InChI=1S/C7H9NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)
InChIKey
QCWDCTDYSDJKTP-UHFFFAOYSA-N
Compound name
4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

139.06332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 128.3
[M+Na]+ 162.05254 136.6
[M-H]- 138.05604 130.2
[M+NH4]+ 157.09714 152.5
[M+K]+ 178.02648 134.4
[M+H-H2O]+ 122.06058 123.6
[M+HCOO]- 184.06152 148.5
[M+CH3COO]- 198.07717 168.9
[M+Na-2H]- 160.03799 130.9
[M]+ 139.06277 124.3
[M]- 139.06387 124.3
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