CID 13628323

67932-69-8

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC(C)C1CNC2=CC=CC=C12

InChI

InChI=1S/C11H15N/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-6,8,10,12H,7H2,1-2H3

InChIKey

ASZQCOOQPFGESL-UHFFFAOYSA-N

Compound name

3-propan-2-yl-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 161.12045 Da
Monoisotopic Mass: 3.1
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]+	162.12773	136.4
[M+Na]+	184.10967	143.7
[M-H]-	160.11317	138.1
[M+NH4]+	179.15427	158.2
[M+K]+	200.08361	140.3
[M+H-H2O]+	144.11771	130.6
[M+HCOO]-	206.11865	155.8
[M+CH3COO]-	220.13430	177.1
[M+Na-2H]-	182.09512	140.8
[M]+	161.11990	133.5
[M]-	161.12100	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe