CID 11989604

194920-62-2

Structural Information

Molecular Formula

C₁₅H₃₂N₂O₅

SMILES

CC(C)(C)OC(=O)NCCCOCCOCCOCCCN

InChI

InChI=1S/C15H32N2O5/c1-15(2,3)22-14(18)17-7-5-9-20-11-13-21-12-10-19-8-4-6-16/h4-13,16H2,1-3H3,(H,17,18)

InChIKey

WHHYAYNALHPDGJ-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 461
Patents: 320.2311 Da
Monoisotopic Mass: 0.3
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]+	321.23838	178.9
[M+Na]+	343.22032	182.7
[M+NH4]+	338.26492	182.0
[M+K]+	359.19426	179.5
[M-H]-	319.22382	175.6
[M+Na-2H]-	341.20577	177.7
[M]+	320.23055	177.8
[M]-	320.23165	177.8

Literature stripe

literature stripe

Patent stripe

patents stripe