CID 11593831

1-boc-5-aminoindole

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)N

InChI

InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,14H2,1-3H3

InChIKey

KYCVRKPFNLCHLL-UHFFFAOYSA-N

Compound name

tert-butyl 5-aminoindole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 232.12119 Da
Monoisotopic Mass: 2.6
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]+	233.12847	151.8
[M+Na]+	255.11041	163.2
[M+NH4]+	250.15501	159.2
[M+K]+	271.08435	160.1
[M-H]-	231.11391	152.8
[M+Na-2H]-	253.09586	156.9
[M]+	232.12064	153.6
[M]-	232.12174	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe