CID 6019831

59150-87-7

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

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

InChI

InChI=1S/C11H12O3/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-7,12H,2H2,1H3,(H,13,14)/b9-6+

InChIKey

JGVQTQGCFDAAOM-RMKNXTFCSA-N

Compound name

(2E)-2-[(3-hydroxyphenyl)methylidene]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 192.07864 Da
Monoisotopic Mass: 2.3
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]+	193.085916	141.3
[M+Na]+	215.067858	148.0
[M-H]-	191.071364	142.3
[M+NH4]+	210.112463	159.5
[M+K]+	231.041798	145.2
[M+H-H2O]+	175.075900	136.0
[M+HCOO]-	237.076841	161.3
[M+CH3COO]-	251.092491	178.7
[M+Na-2H]-	213.053306	144.3
[M]+	192.07809142	140.2
[M]-	192.07918858	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe