CID 3798703

2-(allyloxy)benzoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C=CCOC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C10H10O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2,(H,11,12)

InChIKey

XPWMIGFSEWFXEZ-UHFFFAOYSA-N

Compound name

2-prop-2-enoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1539
Patents: 178.06299 Da
Monoisotopic Mass: 2.2
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]+	179.07027	137.0
[M+Na]+	201.05221	149.0
[M+NH4]+	196.09681	144.3
[M+K]+	217.02615	143.3
[M-H]-	177.05571	137.7
[M+Na-2H]-	199.03766	142.8
[M]+	178.06244	138.7
[M]-	178.06354	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe