CID 510876

1-cyclopentene-1-butanoic acid, 2-methyl-a,g-dioxo-

Structural Information

Molecular Formula
C10H12O4
SMILES
CC1=C(CCC1)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C10H12O4/c1-6-3-2-4-7(6)8(11)5-9(12)10(13)14/h2-5H2,1H3,(H,13,14)
InChIKey
FQFOILKEDBRJBY-UHFFFAOYSA-N
Compound name
4-(2-methylcyclopenten-1-yl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07356 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 142.0
[M+Na]+ 219.06278 148.2
[M-H]- 195.06628 144.1
[M+NH4]+ 214.10738 162.0
[M+K]+ 235.03672 147.3
[M+H-H2O]+ 179.07082 137.0
[M+HCOO]- 241.07176 162.4
[M+CH3COO]- 255.08741 181.4
[M+Na-2H]- 217.04823 141.7
[M]+ 196.07301 141.8
[M]- 196.07411 141.8
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.