CID 90658595

1-naphthol 6'-o-malonylglucoside

Structural Information

Molecular Formula
C19H20O9
SMILES
C1=CC=C2C(=C1)C=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)CC(=O)O)O)O)O
InChI
InChI=1S/C19H20O9/c20-14(21)8-15(22)26-9-13-16(23)17(24)18(25)19(28-13)27-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,16-19,23-25H,8-9H2,(H,20,21)/t13-,16-,17+,18-,19-/m1/s1
InChIKey
QNRFNDGWEROWPJ-LQDZTQBFSA-N
Compound name
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-1-yloxyoxan-2-yl]methoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

392.11072 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11800 186.9
[M+Na]+ 415.09994 195.9
[M+NH4]+ 410.14454 190.2
[M+K]+ 431.07388 194.1
[M-H]- 391.10344 187.6
[M+Na-2H]- 413.08539 187.2
[M]+ 392.11017 187.8
[M]- 392.11127 187.8
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.