CID 292101

Allylpyrocatechol

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

C=CCC1=C(C(=CC=C1)O)O

InChI

InChI=1S/C9H10O2/c1-2-4-7-5-3-6-8(10)9(7)11/h2-3,5-6,10-11H,1,4H2

InChIKey

PARWTEYYJSDGQM-UHFFFAOYSA-N

Compound name

3-prop-2-enylbenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 28
References: 479
Patents: 150.06808 Da
Monoisotopic Mass: 2.3
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]+	151.07536	130.0
[M+Na]+	173.05730	142.8
[M+NH4]+	168.10190	138.2
[M+K]+	189.03124	136.7
[M-H]-	149.06080	131.3
[M+Na-2H]-	171.04275	136.2
[M]+	150.06753	132.1
[M]-	150.06863	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe