CID 10634443

174799-52-1

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)NCCNCC1=CC=CC=C1

InChI

InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-10-9-15-11-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3,(H,16,17)

InChIKey

ZSJCBAQDXIZTTC-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(benzylamino)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 250.16812 Da
Monoisotopic Mass: 2.0
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]+	251.17540	161.1
[M+Na]+	273.15734	170.0
[M+NH4]+	268.20194	167.7
[M+K]+	289.13128	164.5
[M-H]-	249.16084	162.7
[M+Na-2H]-	271.14279	166.4
[M]+	250.16757	162.6
[M]-	250.16867	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe