CID 114569

13807-95-9

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

COC1=CC=C(C=C1)COCC(CO)O

InChI

InChI=1S/C11H16O4/c1-14-11-4-2-9(3-5-11)7-15-8-10(13)6-12/h2-5,10,12-13H,6-8H2,1H3

InChIKey

MFKMOLJNQHPVHC-UHFFFAOYSA-N

Compound name

3-[(4-methoxyphenyl)methoxy]propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 212.10486 Da
Monoisotopic Mass: 0.2
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]+	213.112136	146.6
[M+Na]+	235.094078	152.7
[M-H]-	211.097584	147.3
[M+NH4]+	230.138683	163.9
[M+K]+	251.068018	151.1
[M+H-H2O]+	195.102120	140.6
[M+HCOO]-	257.103061	167.3
[M+CH3COO]-	271.118711	182.3
[M+Na-2H]-	233.079526	150.8
[M]+	212.10431142	149.0
[M]-	212.10540858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe