CID 62388836

1250150-08-3

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

C1CC2(CC2C(=O)O)C3=CC=CC=C31

InChI

InChI=1S/C12H12O2/c13-11(14)10-7-12(10)6-5-8-3-1-2-4-9(8)12/h1-4,10H,5-7H2,(H,13,14)

InChIKey

UVOIDJPTVVIJKT-UHFFFAOYSA-N

Compound name

spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 188.08372 Da
Monoisotopic Mass: 2.2
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]+	189.09100	140.0
[M+Na]+	211.07294	150.3
[M-H]-	187.07644	146.4
[M+NH4]+	206.11754	159.2
[M+K]+	227.04688	146.5
[M+H-H2O]+	171.08098	135.5
[M+HCOO]-	233.08192	160.5
[M+CH3COO]-	247.09757	153.4
[M+Na-2H]-	209.05839	145.9
[M]+	188.08317	141.4
[M]-	188.08427	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe