CID 14381314

75421-49-7

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

CC1C(CC2=CC=CC=C12)C(=O)OC

InChI

InChI=1S/C12H14O2/c1-8-10-6-4-3-5-9(10)7-11(8)12(13)14-2/h3-6,8,11H,7H2,1-2H3

InChIKey

UZFMKLPKSUPEPO-UHFFFAOYSA-N

Compound name

methyl 1-methyl-2,3-dihydro-1H-indene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 190.09938 Da
Monoisotopic Mass: 2.4
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]+	191.10666	141.0
[M+Na]+	213.08860	149.4
[M-H]-	189.09210	145.8
[M+NH4]+	208.13320	163.9
[M+K]+	229.06254	147.2
[M+H-H2O]+	173.09664	135.9
[M+HCOO]-	235.09758	163.5
[M+CH3COO]-	249.11323	183.7
[M+Na-2H]-	211.07405	144.8
[M]+	190.09883	142.3
[M]-	190.09993	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe