CID 96130

3-(3-methoxyphenyl)propan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

COC1=CC=CC(=C1)CCCO

InChI

InChI=1S/C10H14O2/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6,8,11H,3,5,7H2,1H3

InChIKey

XOBQNLCSYCFLQG-UHFFFAOYSA-N

Compound name

3-(3-methoxyphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 144
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]+	167.106656	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