CID 86493

3-phenoxy-2-hydroxypropyl acrylate

Structural Information

Molecular Formula

C₁₂H₁₄O₄

SMILES

CCCOC(=O)C(=COC1=CC=CC=C1)O

InChI

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

InChIKey

FOKZHJCFBNVOAV-UHFFFAOYSA-N

Compound name

propyl 2-hydroxy-3-phenoxyprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 551
Patents: 222.0892 Da
Monoisotopic Mass: 2.6
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	149.3
[M+Na]+	245.078418	155.0
[M-H]-	221.081924	151.1
[M+NH4]+	240.123023	166.6
[M+K]+	261.052358	153.4
[M+H-H2O]+	205.086460	143.0
[M+HCOO]-	267.087401	170.7
[M+CH3COO]-	281.103051	184.5
[M+Na-2H]-	243.063866	152.9
[M]+	222.08865142	151.4
[M]-	222.08974858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe