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

773
Patents

278.07904 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08632 159.5
[M+Na]+ 301.06826 165.1
[M-H]- 277.07176 161.5
[M+NH4]+ 296.11286 174.3
[M+K]+ 317.04220 164.2
[M+H-H2O]+ 261.07630 153.0
[M+HCOO]- 323.07724 179.1
[M+CH3COO]- 337.09289 196.2
[M+Na-2H]- 299.05371 159.3
[M]+ 278.07849 163.0
[M]- 278.07959 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