CID 61690492

1-(1-aminopropan-2-yl)piperidin-2-one dihydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CC(CN)N1CCCCC1=O

InChI

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

InChIKey

WJADHLCBPWNDAF-UHFFFAOYSA-N

Compound name

1-(1-aminopropan-2-yl)piperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 156.12627 Da
Monoisotopic Mass: -0.4
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	136.0
[M+Na]+	179.11549	140.8
[M-H]-	155.11899	137.0
[M+NH4]+	174.16009	155.0
[M+K]+	195.08943	139.8
[M+H-H2O]+	139.12353	129.5
[M+HCOO]-	201.12447	155.0
[M+CH3COO]-	215.14012	179.3
[M+Na-2H]-	177.10094	139.0
[M]+	156.12572	130.4
[M]-	156.12682	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe