CID 295955

1-(benzyloxy)propan-2-ol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(COCC1=CC=CC=C1)O

InChI

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

InChIKey

KJBPYIUAQLPHJG-UHFFFAOYSA-N

Compound name

1-phenylmethoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1094
Patents: 166.09938 Da
Monoisotopic Mass: 1.3
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	136.1
[M+Na]+	189.088598	142.3
[M-H]-	165.092104	138.1
[M+NH4]+	184.133203	155.9
[M+K]+	205.062538	140.8
[M+H-H2O]+	149.096640	130.4
[M+HCOO]-	211.097581	158.3
[M+CH3COO]-	225.113231	176.6
[M+Na-2H]-	187.074046	142.0
[M]+	166.09883142	136.7
[M]-	166.09992858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe