CID 18688020

121494-52-8

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NCCNC1=CC=CC=C1

InChI

InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-10-9-14-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3,(H,15,16)

InChIKey

XBWZGBZWELKIHV-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-anilinoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 236.15248 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]+	237.15976	156.3
[M+Na]+	259.14170	160.9
[M-H]-	235.14520	159.5
[M+NH4]+	254.18630	173.5
[M+K]+	275.11564	159.3
[M+H-H2O]+	219.14974	149.5
[M+HCOO]-	281.15068	179.7
[M+CH3COO]-	295.16633	195.6
[M+Na-2H]-	257.12715	162.4
[M]+	236.15193	156.9
[M]-	236.15303	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe