CID 2756543

150349-36-3

Structural Information

Molecular Formula

C₉H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7,10H2,1-4H3

InChIKey

PNQYAMWGTGWJDW-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-aminopropyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 746
Patents: 188.15248 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]+	189.15976	145.3
[M+Na]+	211.14170	152.1
[M+NH4]+	206.18630	151.5
[M+K]+	227.11564	149.0
[M-H]-	187.14520	144.2
[M+Na-2H]-	209.12715	147.2
[M]+	188.15193	145.5
[M]-	188.15303	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe