CID 131752982

Ipomeamaronolide

Structural Information

Molecular Formula
C15H22O4
SMILES
CC(C)CC(=O)CC1(CCC(O1)C2=CCOC2=O)C
InChI
InChI=1S/C15H22O4/c1-10(2)8-11(16)9-15(3)6-4-13(19-15)12-5-7-18-14(12)17/h5,10,13H,4,6-9H2,1-3H3
InChIKey
WZUJTFLPWFXBST-UHFFFAOYSA-N
Compound name
4-[5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 162.3
[M+Na]+ 289.14102 167.9
[M-H]- 265.14452 169.9
[M+NH4]+ 284.18562 181.5
[M+K]+ 305.11496 168.6
[M+H-H2O]+ 249.14906 158.4
[M+HCOO]- 311.15000 180.8
[M+CH3COO]- 325.16565 196.6
[M+Na-2H]- 287.12647 161.9
[M]+ 266.15125 164.5
[M]- 266.15235 164.5
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.