CID 7130918

2825006-16-2

Structural Information

Molecular Formula

C₁₁H₂₃N₃O

SMILES

CC(C)(C)NC(=O)CN1CCCNCC1

InChI

InChI=1S/C11H23N3O/c1-11(2,3)13-10(15)9-14-7-4-5-12-6-8-14/h12H,4-9H2,1-3H3,(H,13,15)

InChIKey

GTBSIJYCDGZHHF-UHFFFAOYSA-N

Compound name

N-tert-butyl-2-(1,4-diazepan-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 213.18411 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]+	214.191386	148.9
[M+Na]+	236.173328	150.2
[M-H]-	212.176834	148.5
[M+NH4]+	231.217933	162.6
[M+K]+	252.147268	153.0
[M+H-H2O]+	196.181370	140.9
[M+HCOO]-	258.182311	162.9
[M+CH3COO]-	272.197961	188.5
[M+Na-2H]-	234.158776	152.3
[M]+	213.18356142	140.3
[M]-	213.18465858	140.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.