CID 106661

Monomethacryloxyisopropyl phthalate

Structural Information

Molecular Formula

C₁₅H₁₆O₆

SMILES

CC(COC(=O)C(=C)C)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C15H16O6/c1-9(2)14(18)20-8-10(3)21-15(19)12-7-5-4-6-11(12)13(16)17/h4-7,10H,1,8H2,2-3H3,(H,16,17)

InChIKey

HQYSAIKKBLWFBW-UHFFFAOYSA-N

Compound name

2-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 47
Patents: 292.0947 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]+	293.101976	163.6
[M+Na]+	315.083918	168.5
[M-H]-	291.087424	165.5
[M+NH4]+	310.128523	177.7
[M+K]+	331.057858	168.0
[M+H-H2O]+	275.091960	157.1
[M+HCOO]-	337.092901	181.8
[M+CH3COO]-	351.108551	200.2
[M+Na-2H]-	313.069366	161.7
[M]+	292.09415142	166.8
[M]-	292.09524858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe