CID 22504929

869970-25-2

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C1CC1(C2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C10H10O3/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4,11H,5-6H2,(H,12,13)

InChIKey

NYMJUDIMUFFNEJ-UHFFFAOYSA-N

Compound name

1-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 178.06299 Da
Monoisotopic Mass: 1.4
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	134.4
[M+Na]+	201.05221	144.1
[M-H]-	177.05571	140.1
[M+NH4]+	196.09681	150.2
[M+K]+	217.02615	141.4
[M+H-H2O]+	161.06025	129.7
[M+HCOO]-	223.06119	155.7
[M+CH3COO]-	237.07684	178.0
[M+Na-2H]-	199.03766	141.0
[M]+	178.06244	136.1
[M]-	178.06354	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe