CID 92218

5349-60-0

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

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

InChI

InChI=1S/C10H14O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10-11H,3H2,1-2H3

InChIKey

RELLLNVFFUWXHI-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 153
Patents: 166.09938 Da
Monoisotopic Mass: 1.9
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	135.3
[M+Na]+	189.088598	142.5
[M-H]-	165.092104	137.8
[M+NH4]+	184.133203	155.5
[M+K]+	205.062538	141.1
[M+H-H2O]+	149.096640	129.9
[M+HCOO]-	211.097581	157.6
[M+CH3COO]-	225.113231	177.7
[M+Na-2H]-	187.074046	140.6
[M]+	166.09883142	136.4
[M]-	166.09992858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe