CID 89790448

731810-73-4

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C1[C@@H]([C@H]1C(=O)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C10H10O3/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9,11H,5H2,(H,12,13)/t8-,9+/m1/s1

InChIKey

SFPUQNBJRXMDHF-BDAKNGLRSA-N

Compound name

trans-(1S,2S)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 178.06299 Da
Monoisotopic Mass: 1.3
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]+	179.070266	132.4
[M+Na]+	201.052208	142.2
[M-H]-	177.055714	138.1
[M+NH4]+	196.096813	146.7
[M+K]+	217.026148	138.6
[M+H-H2O]+	161.060250	126.8
[M+HCOO]-	223.061191	154.1
[M+CH3COO]-	237.076841	179.6
[M+Na-2H]-	199.037656	137.4
[M]+	178.06244142	134.1
[M]-	178.06353858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe