CID 101649831

Ns00117098

Structural Information

Molecular Formula
C18H26O8
SMILES
CC(C)C1=CC(=CC(=C1OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C)C)O
InChI
InChI=1S/C18H26O8/c1-7(2)10-5-9(19)6-11(8(3)4)15(10)25-18-14(22)12(20)13(21)16(26-18)17(23)24/h5-8,12-14,16,18-22H,1-4H3,(H,23,24)/t12-,13-,14+,16-,18?/m0/s1
InChIKey
OCSNDZGMSQTRGL-ODEDACCXSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[4-hydroxy-2,6-di(propan-2-yl)phenoxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.16278 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17006 185.5
[M+Na]+ 393.15200 193.0
[M+NH4]+ 388.19660 187.9
[M+K]+ 409.12594 193.1
[M-H]- 369.15550 185.0
[M+Na-2H]- 391.13745 183.7
[M]+ 370.16223 185.8
[M]- 370.16333 185.8
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.