CID 185914

Dihydroresveratrol

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O

InChI

InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2

InChIKey

HITJFUSPLYBJPE-UHFFFAOYSA-N

Compound name

5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 49
References: 461
Patents: 230.0943 Da
Monoisotopic Mass: 3.1
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]+	231.101576	150.2
[M+Na]+	253.083518	158.1
[M-H]-	229.087024	153.5
[M+NH4]+	248.128123	166.4
[M+K]+	269.057458	153.4
[M+H-H2O]+	213.091560	143.8
[M+HCOO]-	275.092501	170.7
[M+CH3COO]-	289.108151	184.2
[M+Na-2H]-	251.068966	154.7
[M]+	230.09375142	149.2
[M]-	230.09484858	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe