CID 20971

1-ethylindan

Structural Information

Molecular Formula

C₁₁H₁₄

SMILES

CCC1CCC2=CC=CC=C12

InChI

InChI=1S/C11H14/c1-2-9-7-8-10-5-3-4-6-11(9)10/h3-6,9H,2,7-8H2,1H3

InChIKey

SECAQUZEXAHWBA-UHFFFAOYSA-N

Compound name

1-ethyl-2,3-dihydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 191
Patents: 146.10954 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]+	147.11682	130.8
[M+Na]+	169.09876	138.8
[M-H]-	145.10226	135.3
[M+NH4]+	164.14336	155.4
[M+K]+	185.07270	136.0
[M+H-H2O]+	129.10680	125.7
[M+HCOO]-	191.10774	154.0
[M+CH3COO]-	205.12339	176.4
[M+Na-2H]-	167.08421	137.0
[M]+	146.10899	129.9
[M]-	146.11009	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe