CID 11458923

184031-16-1

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)NC=C2

InChI

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

InChIKey

VGVLKMYJBZYCIS-UHFFFAOYSA-N

Compound name

tert-butyl N-(1H-indol-5-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 232.12119 Da
Monoisotopic Mass: 2.4
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	153.1
[M+Na]+	255.110408	161.3
[M-H]-	231.113914	155.6
[M+NH4]+	250.155013	172.0
[M+K]+	271.084348	158.1
[M+H-H2O]+	215.118450	147.0
[M+HCOO]-	277.119391	174.8
[M+CH3COO]-	291.135041	189.0
[M+Na-2H]-	253.095856	159.8
[M]+	232.12064142	154.6
[M]-	232.12173858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe