CID 121743

Mono(2-acryloyloxyethyl) phthalate

Structural Information

Molecular Formula

C₁₃H₁₂O₆

SMILES

C=CC(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H12O6/c1-2-11(14)18-7-8-19-13(17)10-6-4-3-5-9(10)12(15)16/h2-6H,1,7-8H2,(H,15,16)

InChIKey

RKYJPYDJNQXILT-UHFFFAOYSA-N

Compound name

2-(2-prop-2-enoyloxyethoxycarbonyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6038
Patents: 264.0634 Da
Monoisotopic Mass: 1.6
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]+	265.070676	155.2
[M+Na]+	287.052618	161.4
[M-H]-	263.056124	157.3
[M+NH4]+	282.097223	170.6
[M+K]+	303.026558	160.2
[M+H-H2O]+	247.060660	148.7
[M+HCOO]-	309.061601	176.1
[M+CH3COO]-	323.077251	192.3
[M+Na-2H]-	285.038066	156.7
[M]+	264.06285142	158.9
[M]-	264.06394858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe