CID 108455

60424-44-4

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

CC1(C(C12C=CC3=CC=CC=C23)C(=O)O)C

InChI

InChI=1S/C14H14O2/c1-13(2)11(12(15)16)14(13)8-7-9-5-3-4-6-10(9)14/h3-8,11H,1-2H3,(H,15,16)

InChIKey

RXTAQAPVUFGHOU-UHFFFAOYSA-N

Compound name

2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 214.09938 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]+	215.106656	147.0
[M+Na]+	237.088598	159.1
[M-H]-	213.092104	154.2
[M+NH4]+	232.133203	167.5
[M+K]+	253.062538	155.4
[M+H-H2O]+	197.096640	143.4
[M+HCOO]-	259.097581	167.8
[M+CH3COO]-	273.113231	188.8
[M+Na-2H]-	235.074046	153.2
[M]+	214.09883142	151.4
[M]-	214.09992858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe