CID 56843599

Einecs 289-527-7

Structural Information

Molecular Formula

C₁₆H₂₆O₅

SMILES

C1CCOC(C1)OC2C[C@@H]3CC4(C[C@@H]3C2)OCC(O4)CO

InChI

InChI=1S/C16H26O5/c17-9-14-10-19-16(21-14)7-11-5-13(6-12(11)8-16)20-15-3-1-2-4-18-15/h11-15,17H,1-10H2/t11-,12+,13?,14?,15?,16?

InChIKey

PEKUEEVJHLWEGH-LHMJXJFVSA-N

Compound name

[(3'aS,6'aR)-2'-(oxan-2-yloxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.178 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	299.185276	168.4
[M+Na]+	321.167218	171.4
[M-H]-	297.170724	177.0
[M+NH4]+	316.211823	186.7
[M+K]+	337.141158	172.1
[M+H-H2O]+	281.175260	165.7
[M+HCOO]-	343.176201	180.5
[M+CH3COO]-	357.191851	178.7
[M+Na-2H]-	319.152666	167.4
[M]+	298.17745142	164.7
[M]-	298.17854858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.