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: 22
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]+	193.085916	140.2
[M+Na]+	215.067858	147.4
[M-H]-	191.071364	143.3
[M+NH4]+	210.112463	161.8
[M+K]+	231.041798	145.1
[M+H-H2O]+	175.075900	135.0
[M+HCOO]-	237.076841	161.6
[M+CH3COO]-	251.092491	179.7
[M+Na-2H]-	213.053306	144.8
[M]+	192.07809142	140.4
[M]-	192.07918858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe