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

4
Patents

314.17294 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.180216 174.6
[M+Na]+ 337.162158 177.6
[M-H]- 313.165664 175.6
[M+NH4]+ 332.206763 185.1
[M+K]+ 353.136098 175.5
[M+H-H2O]+ 297.170200 168.1
[M+HCOO]- 359.171141 184.3
[M+CH3COO]- 373.186791 199.9
[M+Na-2H]- 335.147606 171.5
[M]+ 314.17239142 170.0
[M]- 314.17348858 170.0
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

patents stripe