CID 16788119

5-ethylindoline

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: 233
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	131.3
[M+Na]+	170.09402	143.7
[M+NH4]+	165.13862	141.2
[M+K]+	186.06796	138.1
[M-H]-	146.09752	133.4
[M+Na-2H]-	168.07947	137.2
[M]+	147.10425	133.6
[M]-	147.10535	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe