CID 10608330

160648-26-0

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

COC(=O)/C=C/C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H10O4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-7H,1H3,(H,13,14)/b7-4+

InChIKey

WNQUXRWZRJWTBX-QPJJXVBHSA-N

Compound name

4-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 206.0579 Da
Monoisotopic Mass: 2.1
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]+	207.06518	143.9
[M+Na]+	229.04712	154.9
[M+NH4]+	224.09172	150.1
[M+K]+	245.02106	150.3
[M-H]-	205.05062	143.5
[M+Na-2H]-	227.03257	148.4
[M]+	206.05735	145.0
[M]-	206.05845	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe