CID 96869

2,3,7-trimethylindole

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

CC1=C2C(=CC=C1)C(=C(N2)C)C

InChI

InChI=1S/C11H13N/c1-7-5-4-6-10-8(2)9(3)12-11(7)10/h4-6,12H,1-3H3

InChIKey

USKKDNORVCJALM-UHFFFAOYSA-N

Compound name

2,3,7-trimethyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 159.1048 Da
Monoisotopic Mass: 3.2
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]+	160.11208	132.4
[M+Na]+	182.09402	147.3
[M+NH4]+	177.13862	142.3
[M+K]+	198.06796	141.4
[M-H]-	158.09752	135.0
[M+Na-2H]-	180.07947	139.5
[M]+	159.10425	135.4
[M]-	159.10535	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe