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

7133
Patents

264.0634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07068 155.2
[M+Na]+ 287.05262 161.4
[M-H]- 263.05612 157.3
[M+NH4]+ 282.09722 170.6
[M+K]+ 303.02656 160.2
[M+H-H2O]+ 247.06066 148.7
[M+HCOO]- 309.06160 176.1
[M+CH3COO]- 323.07725 192.3
[M+Na-2H]- 285.03807 156.7
[M]+ 264.06285 158.9
[M]- 264.06395 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe