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]+ 345.154406 177.8
[M+Na]+ 367.136348 182.6
[M-H]- 343.139854 178.4
[M+NH4]+ 362.180953 186.7
[M+K]+ 383.110288 181.1
[M+H-H2O]+ 327.144390 170.6
[M+HCOO]- 389.145331 190.0
[M+CH3COO]- 403.160981 202.9
[M+Na-2H]- 365.121796 176.9
[M]+ 344.14658142 178.9
[M]- 344.14767858 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

literature stripe

Patent stripe

patents stripe