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
2
Annotation Hits

0
References

126
Patents

139.06332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 128.3
[M+Na]+ 162.052538 136.6
[M-H]- 138.056044 130.2
[M+NH4]+ 157.097143 152.5
[M+K]+ 178.026478 134.4
[M+H-H2O]+ 122.060580 123.6
[M+HCOO]- 184.061521 148.5
[M+CH3COO]- 198.077171 168.9
[M+Na-2H]- 160.037986 130.9
[M]+ 139.06277142 124.3
[M]- 139.06386858 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