CID 394539

Nsc698084

Structural Information

Molecular Formula
C14H20O6
SMILES
CC(C)OC1=C(C(=O)C12OCCO2)CC3(OCCO3)C
InChI
InChI=1S/C14H20O6/c1-9(2)20-12-10(8-13(3)16-4-5-17-13)11(15)14(12)18-6-7-19-14/h9H,4-8H2,1-3H3
InChIKey
PBDWAPJHJUDGOZ-UHFFFAOYSA-N
Compound name
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12598 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13326 149.6
[M+Na]+ 307.11520 154.4
[M-H]- 283.11870 160.6
[M+NH4]+ 302.15980 161.2
[M+K]+ 323.08914 161.2
[M+H-H2O]+ 267.12324 143.9
[M+HCOO]- 329.12418 165.8
[M+CH3COO]- 343.13983 200.1
[M+Na-2H]- 305.10065 154.6
[M]+ 284.12543 163.4
[M]- 284.12653 163.4
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.