CID 91528

28822-73-3

Structural Information

Molecular Formula

C₈H₁₀O₄

SMILES

C1=CC(=C(C=C1C(CO)O)O)O

InChI

InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2

InChIKey

MTVWFVDWRVYDOR-UHFFFAOYSA-N

Compound name

4-(1,2-dihydroxyethyl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 964
References: 2436
Patents: 170.0579 Da
Monoisotopic Mass: -1.0
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]+	171.06518	133.7
[M+Na]+	193.04712	144.2
[M+NH4]+	188.09172	140.2
[M+K]+	209.02106	140.9
[M-H]-	169.05062	132.8
[M+Na-2H]-	191.03257	137.6
[M]+	170.05735	134.6
[M]-	170.05845	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe