CID 25244596

Dihydrofumigatin

Structural Information

Molecular Formula

C₈H₁₀O₄

SMILES

CC1=CC(=C(C(=C1O)O)OC)O

InChI

InChI=1S/C8H10O4/c1-4-3-5(9)8(12-2)7(11)6(4)10/h3,9-11H,1-2H3

InChIKey

FBRSHCVRTNPNES-UHFFFAOYSA-N

Compound name

3-methoxy-6-methylbenzene-1,2,4-triol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 3
Patents: 170.0579 Da
Monoisotopic Mass: 0.7
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	131.5
[M+Na]+	193.04712	141.6
[M-H]-	169.05062	132.5
[M+NH4]+	188.09172	150.9
[M+K]+	209.02106	139.5
[M+H-H2O]+	153.05516	127.1
[M+HCOO]-	215.05610	152.7
[M+CH3COO]-	229.07175	173.7
[M+Na-2H]-	191.03257	136.0
[M]+	170.05735	132.8
[M]-	170.05845	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe