CID 187201

N-boc-ethylenediamine

Structural Information

Molecular Formula

C₇H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)NCCN

InChI

InChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)9-5-4-8/h4-5,8H2,1-3H3,(H,9,10)

InChIKey

AOCSUUGBCMTKJH-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-aminoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 15073
Patents: 160.12119 Da
Monoisotopic Mass: 0.0
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]+	161.12847	137.2
[M+Na]+	183.11041	143.0
[M-H]-	159.11391	137.1
[M+NH4]+	178.15501	157.5
[M+K]+	199.08435	143.3
[M+H-H2O]+	143.11845	132.2
[M+HCOO]-	205.11939	160.2
[M+CH3COO]-	219.13504	181.4
[M+Na-2H]-	181.09586	142.5
[M]+	160.12064	137.0
[M]-	160.12174	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe