CID 22617736

190900-21-1

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCC(=O)NCC1

InChI

InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-8(13)11-5-7-12/h4-7H2,1-3H3,(H,11,13)

InChIKey

GLJYPTWEXBUATJ-UHFFFAOYSA-N

Compound name

tert-butyl 5-oxo-1,4-diazepane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 244
Patents: 214.13174 Da
Monoisotopic Mass: 0.1
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]+	215.13902	147.1
[M+Na]+	237.12096	153.6
[M+NH4]+	232.16556	151.6
[M+K]+	253.09490	152.2
[M-H]-	213.12446	144.7
[M+Na-2H]-	235.10641	149.2
[M]+	214.13119	146.9
[M]-	214.13229	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe