CID 266594

2,3-dimethyl-6-methoxyindole

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC1=C(NC2=C1C=CC(=C2)OC)C

InChI

InChI=1S/C11H13NO/c1-7-8(2)12-11-6-9(13-3)4-5-10(7)11/h4-6,12H,1-3H3

InChIKey

DIDHRCLBBYWTTC-UHFFFAOYSA-N

Compound name

6-methoxy-2,3-dimethyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 175.09972 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]+	176.106996	135.6
[M+Na]+	198.088938	147.1
[M-H]-	174.092444	138.7
[M+NH4]+	193.133543	157.8
[M+K]+	214.062878	143.3
[M+H-H2O]+	158.096980	130.1
[M+HCOO]-	220.097921	159.1
[M+CH3COO]-	234.113571	179.9
[M+Na-2H]-	196.074386	141.9
[M]+	175.09917142	138.5
[M]-	175.10026858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe