CID 388309

Nsc683041

Structural Information

Molecular Formula
C16H24O6
SMILES
CC(=O)OCC1C(C=CC(O1)OCCCCC=C)OC(=O)C
InChI
InChI=1S/C16H24O6/c1-4-5-6-7-10-19-16-9-8-14(21-13(3)18)15(22-16)11-20-12(2)17/h4,8-9,14-16H,1,5-7,10-11H2,2-3H3
InChIKey
ICSXSSIMJYVWET-UHFFFAOYSA-N
Compound name
(3-acetyloxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1573 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16458 172.7
[M+Na]+ 335.14652 177.1
[M-H]- 311.15002 175.8
[M+NH4]+ 330.19112 186.0
[M+K]+ 351.12046 177.4
[M+H-H2O]+ 295.15456 165.6
[M+HCOO]- 357.15550 191.1
[M+CH3COO]- 371.17115 205.8
[M+Na-2H]- 333.13197 172.8
[M]+ 312.15675 179.0
[M]- 312.15785 179.0
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.