CID 3621142

N1-boc-2,2'-iminodiethylamine

Structural Information

Molecular Formula

C₉H₂₁N₃O₂

SMILES

CC(C)(C)OC(=O)NCCNCCN

InChI

InChI=1S/C9H21N3O2/c1-9(2,3)14-8(13)12-7-6-11-5-4-10/h11H,4-7,10H2,1-3H3,(H,12,13)

InChIKey

KQXGYFNJIMVFDT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 152
Patents: 203.16338 Da
Monoisotopic Mass: -0.4
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]+	204.17066	149.4
[M+Na]+	226.15260	153.4
[M-H]-	202.15610	148.8
[M+NH4]+	221.19720	167.5
[M+K]+	242.12654	153.2
[M+H-H2O]+	186.16064	143.4
[M+HCOO]-	248.16158	172.7
[M+CH3COO]-	262.17723	192.7
[M+Na-2H]-	224.13805	153.9
[M]+	203.16283	149.0
[M]-	203.16393	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe