CID 15338842

91142-58-4

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

CC1(CC2=CC=CC=C2C1)C(=O)O

InChI

InChI=1S/C11H12O2/c1-11(10(12)13)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3,(H,12,13)

InChIKey

VWCCBMWZNOWFDT-UHFFFAOYSA-N

Compound name

2-methyl-1,3-dihydroindene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 176.08372 Da
Monoisotopic Mass: 2.1
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]+	177.090996	137.4
[M+Na]+	199.072938	145.8
[M-H]-	175.076444	141.0
[M+NH4]+	194.117543	161.8
[M+K]+	215.046878	143.0
[M+H-H2O]+	159.080980	133.1
[M+HCOO]-	221.081921	158.7
[M+CH3COO]-	235.097571	177.1
[M+Na-2H]-	197.058386	143.0
[M]+	176.08317142	136.5
[M]-	176.08426858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe