CID 46318263

Tert-butyl 1h-indol-3-ylcarbamate

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)NC1=CNC2=CC=CC=C21

InChI

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

InChIKey

YIFUEEQYEIDYGJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(1H-indol-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	152.2
[M+Na]+	255.11041	162.9
[M+NH4]+	250.15501	159.4
[M+K]+	271.08435	159.7
[M-H]-	231.11391	152.7
[M+Na-2H]-	253.09586	157.4
[M]+	232.12064	153.7
[M]-	232.12174	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe