CID 118924

P-formylphenyl methacrylate

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

CC(=C)C(=O)OC1=CC=C(C=C1)C=O

InChI

InChI=1S/C11H10O3/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-7H,1H2,2H3

InChIKey

NBKFKDJHUNQQKY-UHFFFAOYSA-N

Compound name

(4-formylphenyl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 190.06299 Da
Monoisotopic Mass: 2.1
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]+	191.070266	138.0
[M+Na]+	213.052208	145.9
[M-H]-	189.055714	142.0
[M+NH4]+	208.096813	157.6
[M+K]+	229.026148	144.3
[M+H-H2O]+	173.060250	132.4
[M+HCOO]-	235.061191	161.3
[M+CH3COO]-	249.076841	183.0
[M+Na-2H]-	211.037656	142.2
[M]+	190.06244142	140.0
[M]-	190.06353858	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe