CID 3015754

Benzenemethanol, 4-methoxy-alpha-methyl-, propanoate

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CCC(=O)OC(C)C1=CC=C(C=C1)OC

InChI

InChI=1S/C12H16O3/c1-4-12(13)15-9(2)10-5-7-11(14-3)8-6-10/h5-9H,4H2,1-3H3

InChIKey

WNHUSXOIBXEAMM-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)ethyl propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.10994 Da
Monoisotopic Mass: 2.5
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]+	209.11722	146.0
[M+Na]+	231.09916	152.8
[M-H]-	207.10266	149.6
[M+NH4]+	226.14376	165.0
[M+K]+	247.07310	152.2
[M+H-H2O]+	191.10720	139.9
[M+HCOO]-	253.10814	168.5
[M+CH3COO]-	267.12379	187.7
[M+Na-2H]-	229.08461	149.5
[M]+	208.10939	149.7
[M]-	208.11049	149.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.