CID 11062978

5,6-dimethoxyindoline

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COC1=C(C=C2C(=C1)CCN2)OC

InChI

InChI=1S/C10H13NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h5-6,11H,3-4H2,1-2H3

InChIKey

DPRMKYPHVPDUIH-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 179.09464 Da
Monoisotopic Mass: 1.9
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]+	180.10192	137.2
[M+Na]+	202.08386	146.0
[M-H]-	178.08736	139.3
[M+NH4]+	197.12846	158.6
[M+K]+	218.05780	143.4
[M+H-H2O]+	162.09190	131.4
[M+HCOO]-	224.09284	158.4
[M+CH3COO]-	238.10849	178.4
[M+Na-2H]-	200.06931	142.8
[M]+	179.09409	137.9
[M]-	179.09519	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe