CID 45783012

Compound np-015882

Structural Information

Molecular Formula
C15H20O8
SMILES
CC1=CC(=CC(=C1C(=O)C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C15H20O8/c1-6-3-8(4-9(18)11(6)7(2)17)22-15-14(21)13(20)12(19)10(5-16)23-15/h3-4,10,12-16,18-21H,5H2,1-2H3/t10-,12-,13+,14-,15-/m1/s1
InChIKey
CFJLERBDXYGARW-TVKJYDDYSA-N
Compound name
1-[2-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

328.1158 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.123076 172.3
[M+Na]+ 351.105018 178.5
[M-H]- 327.108524 173.6
[M+NH4]+ 346.149623 181.9
[M+K]+ 367.078958 177.3
[M+H-H2O]+ 311.113060 165.8
[M+HCOO]- 373.114001 183.9
[M+CH3COO]- 387.129651 201.9
[M+Na-2H]- 349.090466 170.0
[M]+ 328.11525142 172.2
[M]- 328.11634858 172.2
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.