CID 17739

2-methoxy-4-propylphenol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CCCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3

InChIKey

PXIKRTCSSLJURC-UHFFFAOYSA-N

Compound name

2-methoxy-4-propylphenol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 9
References: 4279
Patents: 166.09938 Da
Monoisotopic Mass: 2.2
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]+	167.10666	134.3
[M+Na]+	189.08860	142.8
[M-H]-	165.09210	137.1
[M+NH4]+	184.13320	154.9
[M+K]+	205.06254	140.9
[M+H-H2O]+	149.09664	129.1
[M+HCOO]-	211.09758	157.6
[M+CH3COO]-	225.11323	178.0
[M+Na-2H]-	187.07405	140.2
[M]+	166.09883	136.4
[M]-	166.09993	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe