CID 112038

10410-20-5

Structural Information

Molecular Formula
C10H14O4
SMILES
CC1=CC(=O)C(O1)(C)C(C)(C(=O)C)O
InChI
InChI=1S/C10H14O4/c1-6-5-8(12)10(4,14-6)9(3,13)7(2)11/h5,13H,1-4H3
InChIKey
CAIJWAJUXIPUNS-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-3-oxobutan-2-yl)-2,5-dimethylfuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

198.0892 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 138.6
[M+Na]+ 221.078418 147.4
[M-H]- 197.081924 142.2
[M+NH4]+ 216.123023 160.1
[M+K]+ 237.052358 147.7
[M+H-H2O]+ 181.086460 135.9
[M+HCOO]- 243.087401 158.4
[M+CH3COO]- 257.103051 181.6
[M+Na-2H]- 219.063866 143.9
[M]+ 198.08865142 141.3
[M]- 198.08974858 141.3
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