CID 13080895

1-ethyl-4-methyl-2,3-dihydro-1h-indole

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CCN1CCC2=C(C=CC=C21)C

InChI

InChI=1S/C11H15N/c1-3-12-8-7-10-9(2)5-4-6-11(10)12/h4-6H,3,7-8H2,1-2H3

InChIKey

PIUPIJIOTOXLMO-UHFFFAOYSA-N

Compound name

1-ethyl-4-methyl-2,3-dihydroindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 161.12045 Da
Monoisotopic Mass: 2.8
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]+	162.127726	135.0
[M+Na]+	184.109668	143.9
[M-H]-	160.113174	138.3
[M+NH4]+	179.154273	157.9
[M+K]+	200.083608	141.0
[M+H-H2O]+	144.117710	129.0
[M+HCOO]-	206.118651	156.9
[M+CH3COO]-	220.134301	180.0
[M+Na-2H]-	182.095116	140.4
[M]+	161.11990142	135.0
[M]-	161.12099858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe