CID 112696117

6-bromo-1-(2-methoxyethyl)-1h-indole

Structural Information

Molecular Formula

C₁₁H₁₂BrNO

SMILES

COCCN1C=CC2=C1C=C(C=C2)Br

InChI

InChI=1S/C11H12BrNO/c1-14-7-6-13-5-4-9-2-3-10(12)8-11(9)13/h2-5,8H,6-7H2,1H3

InChIKey

OLHORQQSBCVCLR-UHFFFAOYSA-N

Compound name

6-bromo-1-(2-methoxyethyl)indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 253.01022 Da
Monoisotopic Mass: 2.5
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]+	254.017496	148.2
[M+Na]+	275.999438	162.0
[M-H]-	252.002944	154.8
[M+NH4]+	271.044043	171.1
[M+K]+	291.973378	150.9
[M+H-H2O]+	236.007480	148.2
[M+HCOO]-	298.008421	170.7
[M+CH3COO]-	312.024071	191.3
[M+Na-2H]-	273.984886	156.3
[M]+	253.00967142	170.9
[M]-	253.01076858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe