CID 2756424

N-boc-n-methylethylenediamine

Structural Information

Molecular Formula

C₈H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)N(C)CCN

InChI

InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3

InChIKey

QYJVBVKFXDHFPQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-aminoethyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2492
Patents: 174.13683 Da
Monoisotopic Mass: 0.2
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	141.4
[M+Na]+	197.126048	147.0
[M-H]-	173.129554	142.7
[M+NH4]+	192.170653	161.9
[M+K]+	213.099988	148.5
[M+H-H2O]+	157.134090	136.2
[M+HCOO]-	219.135031	164.7
[M+CH3COO]-	233.150681	188.0
[M+Na-2H]-	195.111496	145.5
[M]+	174.13628142	142.9
[M]-	174.13737858	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe