CID 23592887

1-tert-butyl-1,4-diazepane

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CC(C)(C)N1CCCNCC1

InChI

InChI=1S/C9H20N2/c1-9(2,3)11-7-4-5-10-6-8-11/h10H,4-8H2,1-3H3

InChIKey

NFTNAOZWHAOMPK-UHFFFAOYSA-N

Compound name

1-tert-butyl-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 229
Patents: 156.16264 Da
Monoisotopic Mass: 0.6
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]+	157.16992	136.4
[M+Na]+	179.15186	144.3
[M+NH4]+	174.19646	143.3
[M+K]+	195.12580	140.8
[M-H]-	155.15536	136.1
[M+Na-2H]-	177.13731	140.7
[M]+	156.16209	137.3
[M]-	156.16319	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe