CID 2756420

206434-45-9

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CCN1CCCC[C@@H](C1=O)N

InChI

InChI=1S/C8H16N2O/c1-2-10-6-4-3-5-7(9)8(10)11/h7H,2-6,9H2,1H3/t7-/m0/s1

InChIKey

KBJPENFOWBANKE-ZETCQYMHSA-N

Compound name

(3S)-3-amino-1-ethylazepan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 156.12627 Da
Monoisotopic Mass: 0.1
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]+	157.13355	132.1
[M+Na]+	179.11549	140.0
[M+NH4]+	174.16009	139.1
[M+K]+	195.08943	136.6
[M-H]-	155.11899	133.1
[M+Na-2H]-	177.10094	136.2
[M]+	156.12572	133.2
[M]-	156.12682	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe