CID 23401179

2-methyl-5-(propan-2-yl)-1h-indole

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

CC1=CC2=C(N1)C=CC(=C2)C(C)C

InChI

InChI=1S/C12H15N/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12/h4-8,13H,1-3H3

InChIKey

ZZABNZLLIORENK-UHFFFAOYSA-N

Compound name

2-methyl-5-propan-2-yl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 173.12045 Da
Monoisotopic Mass: 3.7
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]+	174.12773	137.4
[M+Na]+	196.10967	151.4
[M+NH4]+	191.15427	147.0
[M+K]+	212.08361	145.9
[M-H]-	172.11317	139.8
[M+Na-2H]-	194.09512	144.1
[M]+	173.11990	140.2
[M]-	173.12100	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe