CID 17927

4-ethylresorcinol

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

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

InChI

InChI=1S/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H3

InChIKey

VGMJYYDKPUPTID-UHFFFAOYSA-N

Compound name

4-ethylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3364
Patents: 138.06808 Da
Monoisotopic Mass: 1.3
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]+	139.075356	125.8
[M+Na]+	161.057298	134.7
[M-H]-	137.060804	127.5
[M+NH4]+	156.101903	146.8
[M+K]+	177.031238	132.3
[M+H-H2O]+	121.065340	121.3
[M+HCOO]-	183.066281	148.2
[M+CH3COO]-	197.081931	169.3
[M+Na-2H]-	159.042746	132.3
[M]+	138.06753142	125.3
[M]-	138.06862858	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe