CID 15878

1878-58-6

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

C1CC2=C(C1)C=C(C=C2)OCC(=O)O

InChI

InChI=1S/C11H12O3/c12-11(13)7-14-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,12,13)

InChIKey

VJJPTBBOPNGSRR-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1H-inden-5-yloxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 21
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]+	193.08592	140.5
[M+Na]+	215.06786	151.2
[M+NH4]+	210.11246	148.9
[M+K]+	231.04180	147.3
[M-H]-	191.07136	141.4
[M+Na-2H]-	213.05331	144.7
[M]+	192.07809	142.0
[M]-	192.07919	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe