CID 44827683

943843-70-7

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CC(=O)N1CCCC(C1)CN

InChI

InChI=1S/C8H16N2O/c1-7(11)10-4-2-3-8(5-9)6-10/h8H,2-6,9H2,1H3

InChIKey

UWOMLUIOZZSCPN-UHFFFAOYSA-N

Compound name

1-[3-(aminomethyl)piperidin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 156.12627 Da
Monoisotopic Mass: -0.5
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]+	157.133546	136.3
[M+Na]+	179.115488	141.2
[M-H]-	155.118994	137.3
[M+NH4]+	174.160093	155.3
[M+K]+	195.089428	140.1
[M+H-H2O]+	139.123530	129.8
[M+HCOO]-	201.124471	155.3
[M+CH3COO]-	215.140121	178.6
[M+Na-2H]-	177.100936	139.3
[M]+	156.12572142	130.6
[M]-	156.12681858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe