CID 347843

(4-propoxyphenyl)methanol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CCCOC1=CC=C(C=C1)CO

InChI

InChI=1S/C10H14O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,11H,2,7-8H2,1H3

InChIKey

BUJZENMUXBWWFE-UHFFFAOYSA-N

Compound name

(4-propoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 166.09938 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]+	167.106656	135.0
[M+Na]+	189.088598	142.5
[M-H]-	165.092104	137.3
[M+NH4]+	184.133203	155.2
[M+K]+	205.062538	140.5
[M+H-H2O]+	149.096640	129.5
[M+HCOO]-	211.097581	158.2
[M+CH3COO]-	225.113231	176.8
[M+Na-2H]-	187.074046	141.6
[M]+	166.09883142	136.7
[M]-	166.09992858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe