CID 21327268

6-[(oxiran-2-yl)methoxy]-1h-indole

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

C1C(O1)COC2=CC3=C(C=C2)C=CN3

InChI

InChI=1S/C11H11NO2/c1-2-9(13-6-10-7-14-10)5-11-8(1)3-4-12-11/h1-5,10,12H,6-7H2

InChIKey

FNAUUGIPMZMODT-UHFFFAOYSA-N

Compound name

6-(oxiran-2-ylmethoxy)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 189.07898 Da
Monoisotopic Mass: 2.3
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]+	190.086256	137.7
[M+Na]+	212.068198	149.2
[M-H]-	188.071704	144.6
[M+NH4]+	207.112803	152.3
[M+K]+	228.042138	145.9
[M+H-H2O]+	172.076240	131.1
[M+HCOO]-	234.077181	160.6
[M+CH3COO]-	248.092831	151.6
[M+Na-2H]-	210.053646	146.2
[M]+	189.07843142	142.8
[M]-	189.07952858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe