CID 76472

3066-65-7

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₄

SMILES

CCOC(=O)NCCCCCCNC(=O)OCC

InChI

InChI=1S/C12H24N2O4/c1-3-17-11(15)13-9-7-5-6-8-10-14-12(16)18-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)

InChIKey

FWKGEANWQNXYRM-UHFFFAOYSA-N

Compound name

ethyl N-[6-(ethoxycarbonylamino)hexyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 551
Patents: 260.1736 Da
Monoisotopic Mass: 1.8
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]+	261.18088	163.7
[M+Na]+	283.16282	169.0
[M+NH4]+	278.20742	167.9
[M+K]+	299.13676	165.0
[M-H]-	259.16632	161.4
[M+Na-2H]-	281.14827	163.7
[M]+	260.17305	163.1
[M]-	260.17415	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe