CID 361160

Nsc623991

Structural Information

Molecular Formula
C7H10O4
SMILES
CC(=O)CC(=O)OCC(=O)C
InChI
InChI=1S/C7H10O4/c1-5(8)3-7(10)11-4-6(2)9/h3-4H2,1-2H3
InChIKey
GQOFREXOMQUSHS-UHFFFAOYSA-N
Compound name
2-oxopropyl 3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

158.0579 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 130.6
[M+Na]+ 181.04712 137.7
[M-H]- 157.05062 131.1
[M+NH4]+ 176.09172 151.4
[M+K]+ 197.02106 138.7
[M+H-H2O]+ 141.05516 126.0
[M+HCOO]- 203.05610 152.8
[M+CH3COO]- 217.07175 177.3
[M+Na-2H]- 179.03257 133.7
[M]+ 158.05735 134.1
[M]- 158.05845 134.1
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

patents stripe