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]+ 181.085916 136.2
[M+Na]+ 203.067858 145.0
[M-H]- 179.071364 140.0
[M+NH4]+ 198.112463 158.5
[M+K]+ 219.041798 142.5
[M+H-H2O]+ 163.075900 131.7
[M+HCOO]- 225.076841 159.7
[M+CH3COO]- 239.092491 180.5
[M+Na-2H]- 201.053306 138.0
[M]+ 180.07809142 136.9
[M]- 180.07918858 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.