CID 347971

3-benzyloxy-1-propanol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1=CC=C(C=C1)COCCCO

InChI

InChI=1S/C10H14O2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2

InChIKey

FUCYABRIJPUVAT-UHFFFAOYSA-N

Compound name

3-phenylmethoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1878
Patents: 166.09938 Da
Monoisotopic Mass: 1.2
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	135.5
[M+Na]+	189.08860	142.0
[M-H]-	165.09210	137.5
[M+NH4]+	184.13320	155.4
[M+K]+	205.06254	140.0
[M+H-H2O]+	149.09664	129.8
[M+HCOO]-	211.09758	158.8
[M+CH3COO]-	225.11323	175.7
[M+Na-2H]-	187.07405	142.7
[M]+	166.09883	136.8
[M]-	166.09993	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe