CID 3435744

N-(tert-butoxycarbonyl)-n'-methylethylenediamine

Structural Information

Molecular Formula

C₈H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NCCNC

InChI

InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h9H,5-6H2,1-4H3,(H,10,11)

InChIKey

GKWGBMHXVRSFRT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1330
Patents: 174.13683 Da
Monoisotopic Mass: 0.5
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]+	175.144106	141.5
[M+Na]+	197.126048	146.8
[M-H]-	173.129554	141.8
[M+NH4]+	192.170653	161.5
[M+K]+	213.099988	147.2
[M+H-H2O]+	157.134090	136.3
[M+HCOO]-	219.135031	164.8
[M+CH3COO]-	233.150681	185.1
[M+Na-2H]-	195.111496	147.3
[M]+	174.13628142	142.7
[M]-	174.13737858	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe