CID 29082182

2752192-48-4

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C[C@@H]1[C@@H](OC2=CC=CC=C12)C(=O)O

InChI

InChI=1S/C10H10O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-6,9H,1H3,(H,11,12)/t6-,9+/m0/s1

InChIKey

BBZMHDNOSCPOHD-IMTBSYHQSA-N

Compound name

(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 178.06299 Da
Monoisotopic Mass: 1.9
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	134.7
[M+Na]+	201.052208	143.4
[M-H]-	177.055714	139.0
[M+NH4]+	196.096813	155.9
[M+K]+	217.026148	142.3
[M+H-H2O]+	161.060250	130.2
[M+HCOO]-	223.061191	155.6
[M+CH3COO]-	237.076841	177.8
[M+Na-2H]-	199.037656	140.1
[M]+	178.06244142	135.6
[M]-	178.06353858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.