CID 46848157

Tatarinoid a

Structural Information

Molecular Formula

C₁₂H₁₆O₅

SMILES

C[C@H](C(=O)C1=CC(=C(C=C1OC)OC)OC)O

InChI

InChI=1S/C12H16O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-7,13H,1-4H3/t7-/m1/s1

InChIKey

YZDSYNUVCHNUIT-SSDOTTSWSA-N

Compound name

(2R)-2-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 240.09978 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.10706	151.7
[M+Na]+	263.08900	162.6
[M+NH4]+	258.13360	157.7
[M+K]+	279.06294	159.0
[M-H]-	239.09250	151.4
[M+Na-2H]-	261.07445	155.3
[M]+	240.09923	152.9
[M]-	240.10033	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe