CID 2757270

1-butyl-1,4-diazepane

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CCCCN1CCCNCC1

InChI

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

InChIKey

GPWLJZCPRQGUMM-UHFFFAOYSA-N

Compound name

1-butyl-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 156.16264 Da
Monoisotopic Mass: 0.9
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	134.8
[M+Na]+	179.15186	142.9
[M+NH4]+	174.19646	141.9
[M+K]+	195.12580	138.4
[M-H]-	155.15536	135.1
[M+Na-2H]-	177.13731	139.3
[M]+	156.16209	135.8
[M]-	156.16319	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe