CID 92131911

115005-78-2

Structural Information

Molecular Formula
C18H26O8
SMILES
CC(C)C1=CC(=CC(=C1O)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C18H26O8/c1-7(2)10-5-9(6-11(8(3)4)12(10)19)25-18-15(22)13(20)14(21)16(26-18)17(23)24/h5-8,13-16,18-22H,1-4H3,(H,23,24)/t13-,14-,15+,16-,18+/m0/s1
InChIKey
UXCRGVWMLWGVRH-RNGZQALNSA-N
Compound name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-3,5-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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.