CID 3018511

74475-27-7

Structural Information

Molecular Formula

C₁₄H₁₈O₃

SMILES

CC1(CC(C2=C1C=C(C(=C2)O)C(=O)O)(C)C)C

InChI

InChI=1S/C14H18O3/c1-13(2)7-14(3,4)10-6-11(15)8(12(16)17)5-9(10)13/h5-6,15H,7H2,1-4H3,(H,16,17)

InChIKey

QBFSFIALNTWSIJ-UHFFFAOYSA-N

Compound name

6-hydroxy-1,1,3,3-tetramethyl-2H-indene-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.1256 Da
Monoisotopic Mass: 4.2
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]+	235.132876	150.1
[M+Na]+	257.114818	160.4
[M-H]-	233.118324	153.2
[M+NH4]+	252.159423	174.4
[M+K]+	273.088758	156.9
[M+H-H2O]+	217.122860	147.4
[M+HCOO]-	279.123801	168.9
[M+CH3COO]-	293.139451	189.2
[M+Na-2H]-	255.100266	153.5
[M]+	234.12505142	151.6
[M]-	234.12614858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.