CID 510875

1-cyclohexene-1-butanoic acid, a,g-dioxo-

Structural Information

Molecular Formula
C10H12O4
SMILES
C1CCC(=CC1)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C10H12O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H,13,14)
InChIKey
DCALCMHGUGAKFD-UHFFFAOYSA-N
Compound name
4-(cyclohexen-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 141.2
[M+Na]+ 219.06278 145.6
[M-H]- 195.06628 142.7
[M+NH4]+ 214.10738 159.1
[M+K]+ 235.03672 144.8
[M+H-H2O]+ 179.07082 135.6
[M+HCOO]- 241.07176 159.5
[M+CH3COO]- 255.08741 180.6
[M+Na-2H]- 217.04823 142.8
[M]+ 196.07301 138.5
[M]- 196.07411 138.5
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.