CID 67497290

1240523-98-1

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

COC(=O)C1=C2CCNC2=CC(=C1)Br

InChI

InChI=1S/C10H10BrNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h4-5,12H,2-3H2,1H3

InChIKey

WVTFUQSMQBFVPR-UHFFFAOYSA-N

Compound name

methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 254.98949 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]+	255.99677	150.0
[M+Na]+	277.97871	161.7
[M-H]-	253.98221	154.8
[M+NH4]+	273.02331	171.7
[M+K]+	293.95265	150.6
[M+H-H2O]+	237.98675	150.3
[M+HCOO]-	299.98769	168.0
[M+CH3COO]-	314.00334	187.9
[M+Na-2H]-	275.96416	155.1
[M]+	254.98894	167.9
[M]-	254.99004	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe