CID 119704

1,2-benzenedicarboxylic acid, mono(2-((2-methyl-1-oxo-2-propenyl)oxy)ethyl) ester

Structural Information

Molecular Formula
C14H14O6
SMILES
CC(=C)C(=O)OCCOC(=O)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C14H14O6/c1-9(2)13(17)19-7-8-20-14(18)11-5-3-10(4-6-11)12(15)16/h3-6H,1,7-8H2,2H3,(H,15,16)
InChIKey
HQHKCNMTLZRXIP-UHFFFAOYSA-N
Compound name
4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

351
Patents

278.07904 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.086316 159.5
[M+Na]+ 301.068258 165.1
[M-H]- 277.071764 161.5
[M+NH4]+ 296.112863 174.3
[M+K]+ 317.042198 164.2
[M+H-H2O]+ 261.076300 153.0
[M+HCOO]- 323.077241 179.1
[M+CH3COO]- 337.092891 196.2
[M+Na-2H]- 299.053706 159.3
[M]+ 278.07849142 163.0
[M]- 278.07958858 163.0
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