CID 25210522

228245-16-7

Structural Information

Molecular Formula

C₈H₁₈N₂O₃

SMILES

CC(C)(C)OC(=O)NOCCCN

InChI

InChI=1S/C8H18N2O3/c1-8(2,3)13-7(11)10-12-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11)

InChIKey

OKYUIKBFUVQYSQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-aminopropoxy)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 56
Patents: 190.13174 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]+	191.139016	144.3
[M+Na]+	213.120958	149.5
[M-H]-	189.124464	144.0
[M+NH4]+	208.165563	163.3
[M+K]+	229.094898	150.1
[M+H-H2O]+	173.129000	138.9
[M+HCOO]-	235.129941	167.2
[M+CH3COO]-	249.145591	186.6
[M+Na-2H]-	211.106406	149.1
[M]+	190.13119142	145.9
[M]-	190.13228858	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe