CID 5374713

3-[(2e)-pent-2-en-1-yl]cyclopentane-1,2,4-trione

Structural Information

Molecular Formula
C10H12O3
SMILES
CC/C=C/CC1C(=O)CC(=O)C1=O
InChI
InChI=1S/C10H12O3/c1-2-3-4-5-7-8(11)6-9(12)10(7)13/h3-4,7H,2,5-6H2,1H3/b4-3+
InChIKey
CCBOLCQGIIFGHM-ONEGZZNKSA-N
Compound name
3-[(E)-pent-2-enyl]cyclopentane-1,2,4-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.2
[M+Na]+ 203.06786 145.0
[M-H]- 179.07136 140.0
[M+NH4]+ 198.11246 158.5
[M+K]+ 219.04180 142.5
[M+H-H2O]+ 163.07590 131.7
[M+HCOO]- 225.07684 159.7
[M+CH3COO]- 239.09249 180.5
[M+Na-2H]- 201.05331 138.0
[M]+ 180.07809 136.9
[M]- 180.07919 136.9
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

No patent data available for this compound.