CID 61712

4-ethylsyringol

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

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

InChI

InChI=1S/C10H14O3/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h5-6,11H,4H2,1-3H3

InChIKey

PJWDIHUFLXQRFF-UHFFFAOYSA-N

Compound name

4-ethyl-2,6-dimethoxyphenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 318
Patents: 182.0943 Da
Monoisotopic Mass: 2.5
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]+	183.10158	136.7
[M+Na]+	205.08352	146.0
[M-H]-	181.08702	139.9
[M+NH4]+	200.12812	156.9
[M+K]+	221.05746	144.7
[M+H-H2O]+	165.09156	131.5
[M+HCOO]-	227.09250	160.2
[M+CH3COO]-	241.10815	181.3
[M+Na-2H]-	203.06897	142.0
[M]+	182.09375	140.7
[M]-	182.09485	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe