CID 71763893

Compound np-023312

Structural Information

Molecular Formula
C17H26O7
SMILES
CC1=CC(=C(C=C1OC)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C17H26O7/c1-8(2)10-6-11(22-4)9(3)5-12(10)23-17-16(21)15(20)14(19)13(7-18)24-17/h5-6,8,13-21H,7H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1
InChIKey
GVNBWLUJJRGUPB-NQNKBUKLSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.16785 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17513 179.6
[M+Na]+ 365.15707 185.4
[M-H]- 341.16057 182.0
[M+NH4]+ 360.20167 189.7
[M+K]+ 381.13101 184.5
[M+H-H2O]+ 325.16511 172.9
[M+HCOO]- 387.16605 191.8
[M+CH3COO]- 401.18170 207.9
[M+Na-2H]- 363.14252 176.7
[M]+ 342.16730 181.3
[M]- 342.16840 181.3
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

No patent data available for this compound.