CID 16228160

1-(1,4-diazepan-1-yl)-3-methylbutan-1-one hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

CC(C)CC(=O)N1CCCNCC1

InChI

InChI=1S/C10H20N2O/c1-9(2)8-10(13)12-6-3-4-11-5-7-12/h9,11H,3-8H2,1-2H3

InChIKey

AEBLYKSUJSUQLD-UHFFFAOYSA-N

Compound name

1-(1,4-diazepan-1-yl)-3-methylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 184.15756 Da
Monoisotopic Mass: 0.7
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]+	185.16484	140.9
[M+Na]+	207.14678	147.8
[M+NH4]+	202.19138	146.8
[M+K]+	223.12072	145.0
[M-H]-	183.15028	140.0
[M+Na-2H]-	205.13223	144.0
[M]+	184.15701	141.2
[M]-	184.15811	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe