CID 103528

(methyl-2-phenoxyethoxy)propanol

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CC(COC1=CC=CC=C1)OCCCO

InChI

InChI=1S/C12H18O3/c1-11(14-9-5-8-13)10-15-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3

InChIKey

HGMRWDYHWJNAQY-UHFFFAOYSA-N

Compound name

3-(1-phenoxypropan-2-yloxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 34
Patents: 210.1256 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]+	211.132876	148.5
[M+Na]+	233.114818	153.7
[M-H]-	209.118324	150.0
[M+NH4]+	228.159423	166.4
[M+K]+	249.088758	152.2
[M+H-H2O]+	193.122860	142.0
[M+HCOO]-	255.123801	170.2
[M+CH3COO]-	269.139451	184.6
[M+Na-2H]-	231.100266	153.3
[M]+	210.12505142	151.2
[M]-	210.12614858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe