CID 10954341

1-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

CC1(CCCC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C12H14O2/c1-12(11(13)14)8-4-6-9-5-2-3-7-10(9)12/h2-3,5,7H,4,6,8H2,1H3,(H,13,14)

InChIKey

GKAFAFBEKXKBLN-UHFFFAOYSA-N

Compound name

1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 190.09938 Da
Monoisotopic Mass: 2.7
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]+	191.106656	141.0
[M+Na]+	213.088598	148.0
[M-H]-	189.092104	144.1
[M+NH4]+	208.133203	162.9
[M+K]+	229.062538	145.2
[M+H-H2O]+	173.096640	135.9
[M+HCOO]-	235.097581	159.7
[M+CH3COO]-	249.113231	180.6
[M+Na-2H]-	211.074046	147.6
[M]+	190.09883142	138.3
[M]-	190.09992858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe