CID 3044360

57144-89-5

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

CC1CC2=C(C1)C=C(C=C2)CC(=O)O

InChI

InChI=1S/C12H14O2/c1-8-4-10-3-2-9(7-12(13)14)6-11(10)5-8/h2-3,6,8H,4-5,7H2,1H3,(H,13,14)

InChIKey

SEWYKXUDXKEOBR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 190.09938 Da
Monoisotopic Mass: 2.5
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]+	191.10666	141.4
[M+Na]+	213.08860	149.3
[M-H]-	189.09210	144.8
[M+NH4]+	208.13320	163.5
[M+K]+	229.06254	146.2
[M+H-H2O]+	173.09664	136.5
[M+HCOO]-	235.09758	162.3
[M+CH3COO]-	249.11323	181.8
[M+Na-2H]-	211.07405	144.7
[M]+	190.09883	140.9
[M]-	190.09993	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe