CID 2756762

179686-45-4

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)NC1CCCCNC1=O

InChI

InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-8-6-4-5-7-12-9(8)14/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15)

InChIKey

AQKNKAUJTJFUMG-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-oxoazepan-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 228.1474 Da
Monoisotopic Mass: 1.2
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]+	229.15468	151.2
[M+Na]+	251.13662	156.6
[M+NH4]+	246.18122	155.9
[M+K]+	267.11056	155.1
[M-H]-	227.14012	149.8
[M+Na-2H]-	249.12207	153.2
[M]+	228.14685	151.1
[M]-	228.14795	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe