CID 11790565

13365-41-8

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

CC(C)(C1=CC2=CC=CC=C2C=C1)C(=O)O

InChI

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

InChIKey

FSNVMRYMCIMZKR-UHFFFAOYSA-N

Compound name

2-methyl-2-naphthalen-2-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 214.09938 Da
Monoisotopic Mass: 3.6
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	146.8
[M+Na]+	237.088598	154.4
[M-H]-	213.092104	150.1
[M+NH4]+	232.133203	165.9
[M+K]+	253.062538	151.1
[M+H-H2O]+	197.096640	141.3
[M+HCOO]-	259.097581	166.2
[M+CH3COO]-	273.113231	186.8
[M+Na-2H]-	235.074046	154.0
[M]+	214.09883142	146.9
[M]-	214.09992858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe