CID 16788119

67932-65-4

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CCC1=CC2=C(C=C1)NCC2

InChI

InChI=1S/C10H13N/c1-2-8-3-4-10-9(7-8)5-6-11-10/h3-4,7,11H,2,5-6H2,1H3

InChIKey

DWLKQZKMPDGRNB-UHFFFAOYSA-N

Compound name

5-ethyl-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 252
Patents: 147.1048 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]+	148.11208	131.2
[M+Na]+	170.09402	139.1
[M-H]-	146.09752	132.9
[M+NH4]+	165.13862	153.6
[M+K]+	186.06796	135.6
[M+H-H2O]+	130.10206	125.4
[M+HCOO]-	192.10300	151.9
[M+CH3COO]-	206.11865	144.5
[M+Na-2H]-	168.07947	137.3
[M]+	147.10425	128.6
[M]-	147.10535	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe