CID 6365136

Ethyl hydroxymethoxycinnamate

Structural Information

Molecular Formula

C₁₂H₁₄O₄

SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)OCO

InChI

InChI=1S/C12H14O4/c1-2-15-12(14)8-5-10-3-6-11(7-4-10)16-9-13/h3-8,13H,2,9H2,1H3/b8-5+

InChIKey

DBWZHPLQAQFVRY-VMPITWQZSA-N

Compound name

ethyl (E)-3-[4-(hydroxymethoxy)phenyl]prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 222.0892 Da
Monoisotopic Mass: 2.4
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]+	223.096476	148.3
[M+Na]+	245.078418	155.2
[M-H]-	221.081924	150.4
[M+NH4]+	240.123023	166.0
[M+K]+	261.052358	153.1
[M+H-H2O]+	205.086460	142.1
[M+HCOO]-	267.087401	170.7
[M+CH3COO]-	281.103051	184.8
[M+Na-2H]-	243.063866	152.5
[M]+	222.08865142	151.4
[M]-	222.08974858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe