CID 11593831

5-aminoindole, n1-boc protected

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: 116
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]+	233.128466	153.2
[M+Na]+	255.110408	162.8
[M-H]-	231.113914	157.0
[M+NH4]+	250.155013	172.9
[M+K]+	271.084348	160.1
[M+H-H2O]+	215.118450	147.1
[M+HCOO]-	277.119391	175.7
[M+CH3COO]-	291.135041	192.0
[M+Na-2H]-	253.095856	158.5
[M]+	232.12064142	155.9
[M]-	232.12173858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe