CID 14427336

Dihydroconiferin

Structural Information

Molecular Formula
C16H24O8
SMILES
COC1=C(C=CC(=C1)CCCO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey
QFYFLJZBZITPGX-IBEHDNSVSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2-methoxyphenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

11
Patents

344.14713 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15441 177.8
[M+Na]+ 367.13635 182.6
[M-H]- 343.13985 178.4
[M+NH4]+ 362.18095 186.7
[M+K]+ 383.11029 181.1
[M+H-H2O]+ 327.14439 170.6
[M+HCOO]- 389.14533 190.0
[M+CH3COO]- 403.16098 202.9
[M+Na-2H]- 365.12180 176.9
[M]+ 344.14658 178.9
[M]- 344.14768 178.9
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.