CID 12877220

68621-88-5

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)N

InChI

InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,12H2,1-3H3,(H,13,14)

InChIKey

IEUIEMIRUXSXCL-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-aminophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1322
Patents: 208.12119 Da
Monoisotopic Mass: 1.3
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]+	209.12847	147.6
[M+Na]+	231.11041	157.1
[M+NH4]+	226.15501	154.5
[M+K]+	247.08435	152.8
[M-H]-	207.11391	149.1
[M+Na-2H]-	229.09586	153.0
[M]+	208.12064	149.1
[M]-	208.12174	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe