CID 119704

4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid

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

766
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 160.8
[M+Na]+ 301.06826 169.5
[M+NH4]+ 296.11286 164.7
[M+K]+ 317.04220 167.0
[M-H]- 277.07176 158.5
[M+Na-2H]- 299.05371 162.9
[M]+ 278.07849 160.8
[M]- 278.07959 160.8
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