CID 2927343

34855-08-8

Structural Information

Molecular Formula

C₁₄H₁₄O₄

SMILES

C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OCC(=O)O

InChI

InChI=1S/C14H14O4/c15-14(16)8-17-9-5-6-13-11(7-9)10-3-1-2-4-12(10)18-13/h5-7H,1-4,8H2,(H,15,16)

InChIKey

LVWKRTDDUIYWBR-UHFFFAOYSA-N

Compound name

2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1
Patents: 246.0892 Da
Monoisotopic Mass: 3.1
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]+	247.09648	150.8
[M+Na]+	269.07842	158.9
[M-H]-	245.08192	155.7
[M+NH4]+	264.12302	170.0
[M+K]+	285.05236	156.9
[M+H-H2O]+	229.08646	145.2
[M+HCOO]-	291.08740	170.3
[M+CH3COO]-	305.10305	190.0
[M+Na-2H]-	267.06387	156.9
[M]+	246.08865	153.4
[M]-	246.08975	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe