CID 16228720

2-(1,4-diazepan-1-yl)acetamide dihydrochloride

Structural Information

Molecular Formula

C₇H₁₅N₃O

SMILES

C1CNCCN(C1)CC(=O)N

InChI

InChI=1S/C7H15N3O/c8-7(11)6-10-4-1-2-9-3-5-10/h9H,1-6H2,(H2,8,11)

InChIKey

TUDVAMWISALGGV-UHFFFAOYSA-N

Compound name

2-(1,4-diazepan-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 157.1215 Da
Monoisotopic Mass: -1.1
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]+	158.12878	132.2
[M+Na]+	180.11072	138.5
[M+NH4]+	175.15532	138.1
[M+K]+	196.08466	136.2
[M-H]-	156.11422	131.7
[M+Na-2H]-	178.09617	135.6
[M]+	157.12095	132.5
[M]-	157.12205	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe