CID 73745655

2-(hydroxymethyl)-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol

Structural Information

Molecular Formula
C16H26O6
SMILES
CC(=C)C1CCC(=CC1)COC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H26O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h3,11-20H,1,4-8H2,2H3
InChIKey
YUTAFQVKXLDYFG-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

314.17294 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18022 173.9
[M+Na]+ 337.16216 181.6
[M+NH4]+ 332.20676 178.5
[M+K]+ 353.13610 178.9
[M-H]- 313.16566 174.9
[M+Na-2H]- 335.14761 173.5
[M]+ 314.17239 174.7
[M]- 314.17349 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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