CID 46318263

1199215-71-8

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	153.1
[M+Na]+	255.11041	161.3
[M-H]-	231.11391	155.6
[M+NH4]+	250.15501	172.0
[M+K]+	271.08435	158.1
[M+H-H2O]+	215.11845	147.0
[M+HCOO]-	277.11939	174.8
[M+CH3COO]-	291.13504	189.0
[M+Na-2H]-	253.09586	159.8
[M]+	232.12064	154.6
[M]-	232.12174	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe