CID 3024728

97043-69-1

Structural Information

Molecular Formula
C11H18O5
SMILES
CC(=O)C(C(=O)C)OCC(COCC=C)O
InChI
InChI=1S/C11H18O5/c1-4-5-15-6-10(14)7-16-11(8(2)12)9(3)13/h4,10-11,14H,1,5-7H2,2-3H3
InChIKey
GVAGLAABBPHREE-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-3-prop-2-enoxypropoxy)pentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11542 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.122696 152.7
[M+Na]+ 253.104638 157.2
[M-H]- 229.108144 150.9
[M+NH4]+ 248.149243 169.5
[M+K]+ 269.078578 157.3
[M+H-H2O]+ 213.112680 147.3
[M+HCOO]- 275.113621 171.2
[M+CH3COO]- 289.129271 190.4
[M+Na-2H]- 251.090086 151.8
[M]+ 230.11487142 156.5
[M]- 230.11596858 156.5
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.