CID 10797750

(r)-3,7-dimethyl-5-indanecarboxylic acid

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

CC1CCC2=C1C=C(C=C2C)C(=O)O

InChI

InChI=1S/C12H14O2/c1-7-3-4-10-8(2)5-9(12(13)14)6-11(7)10/h5-7H,3-4H2,1-2H3,(H,13,14)

InChIKey

YGZDWJVKOQPZDX-UHFFFAOYSA-N

Compound name

3,7-dimethyl-2,3-dihydro-1H-indene-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 190.09938 Da
Monoisotopic Mass: 3.0
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]+	191.106656	140.7
[M+Na]+	213.088598	149.5
[M-H]-	189.092104	144.4
[M+NH4]+	208.133203	163.1
[M+K]+	229.062538	146.4
[M+H-H2O]+	173.096640	136.1
[M+HCOO]-	235.097581	161.6
[M+CH3COO]-	249.113231	183.0
[M+Na-2H]-	211.074046	143.4
[M]+	190.09883142	140.6
[M]-	190.09992858	140.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.