CID 116991

71042-72-3

Structural Information

Molecular Formula

C₁₃H₁₆O₂

SMILES

CCOC(=O)C1=C2CCCC2=C(C=C1)C

InChI

InChI=1S/C13H16O2/c1-3-15-13(14)12-8-7-9(2)10-5-4-6-11(10)12/h7-8H,3-6H2,1-2H3

InChIKey

ZZUHUGVNICWMQB-UHFFFAOYSA-N

Compound name

ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 204.11504 Da
Monoisotopic Mass: 3.3
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]+	205.12232	145.5
[M+Na]+	227.10426	157.3
[M+NH4]+	222.14886	154.6
[M+K]+	243.07820	152.4
[M-H]-	203.10776	147.6
[M+Na-2H]-	225.08971	150.2
[M]+	204.11449	147.7
[M]-	204.11559	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe