CID 15765124

C-veratroylglycol

Structural Information

Molecular Formula

C₁₀H₁₂O₅

SMILES

COC1=C(C=CC(=C1)C(=O)C(CO)O)O

InChI

InChI=1S/C10H12O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,11-13H,5H2,1H3

InChIKey

UTXNRISXYKZJTH-UHFFFAOYSA-N

Compound name

2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 32
Patents: 212.06847 Da
Monoisotopic Mass: -0.8
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]+	213.07575	144.4
[M+Na]+	235.05769	154.2
[M+NH4]+	230.10229	149.9
[M+K]+	251.03163	151.4
[M-H]-	211.06119	143.0
[M+Na-2H]-	233.04314	147.4
[M]+	212.06792	145.0
[M]-	212.06902	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe