CID 70258

4-cyclopentene-1,3-dione

Structural Information

Molecular Formula
C5H4O2
SMILES
C1C(=O)C=CC1=O
InChI
InChI=1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2
InChIKey
MCFZBCCYOPSZLG-UHFFFAOYSA-N
Compound name
cyclopent-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

767
Patents

96.021126 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.028402 115.4
[M+Na]+ 119.01034 126.8
[M+NH4]+ 114.05495 124.2
[M+K]+ 134.98428 123.1
[M-H]- 95.013850 116.4
[M+Na-2H]- 116.99579 121.0
[M]+ 96.020577 117.0
[M]- 96.021675 117.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe