CID 734627

7510-46-5

Structural Information

Molecular Formula

C₁₂H₁₄O₄

SMILES

C/C=C/C1=CC(=C(C=C1)OCC(=O)O)OC

InChI

InChI=1S/C12H14O4/c1-3-4-9-5-6-10(11(7-9)15-2)16-8-12(13)14/h3-7H,8H2,1-2H3,(H,13,14)/b4-3+

InChIKey

UORQJKKOBXSGRG-ONEGZZNKSA-N

Compound name

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 222.0892 Da
Monoisotopic Mass: 2.0
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]+	223.09648	148.7
[M+Na]+	245.07842	160.1
[M+NH4]+	240.12302	155.1
[M+K]+	261.05236	154.8
[M-H]-	221.08192	148.8
[M+Na-2H]-	243.06387	153.2
[M]+	222.08865	150.1
[M]-	222.08975	150.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.