CID 441226

3-vinylcatechol

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

C=CC1=C(C(=CC=C1)O)O

InChI

InChI=1S/C8H8O2/c1-2-6-4-3-5-7(9)8(6)10/h2-5,9-10H,1H2

InChIKey

PAPAWUGOOGNNAR-UHFFFAOYSA-N

Compound name

3-ethenylbenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 605
Patents: 136.05243 Da
Monoisotopic Mass: 2.0
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]+	137.059706	124.4
[M+Na]+	159.041648	133.6
[M-H]-	135.045154	126.2
[M+NH4]+	154.086253	145.4
[M+K]+	175.015588	130.6
[M+H-H2O]+	119.049690	120.0
[M+HCOO]-	181.050631	147.0
[M+CH3COO]-	195.066281	168.4
[M+Na-2H]-	157.027096	130.9
[M]+	136.05188142	123.2
[M]-	136.05297858	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe