CID 109457

68527-76-4

Structural Information

Molecular Formula

C₁₂H₁₆O₄

SMILES

CCOC1=C(C=CC(=C1)C2OCC(O2)C)O

InChI

InChI=1S/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3

InChIKey

IFUIILQWHYHIEK-UHFFFAOYSA-N

Compound name

2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 944
Patents: 224.10486 Da
Monoisotopic Mass: 1.7
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]+	225.112136	148.2
[M+Na]+	247.094078	155.9
[M-H]-	223.097584	155.2
[M+NH4]+	242.138683	165.2
[M+K]+	263.068018	156.1
[M+H-H2O]+	207.102120	142.6
[M+HCOO]-	269.103061	168.6
[M+CH3COO]-	283.118711	185.9
[M+Na-2H]-	245.079526	152.2
[M]+	224.10431142	150.9
[M]-	224.10540858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe