CID 60042028

3-amino-1-tert-butylpiperidin-2-one

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CC(C)(C)N1CCCC(C1=O)N

InChI

InChI=1S/C9H18N2O/c1-9(2,3)11-6-4-5-7(10)8(11)12/h7H,4-6,10H2,1-3H3

InChIKey

PXGBGPDRDABIBM-UHFFFAOYSA-N

Compound name

3-amino-1-tert-butylpiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.1419 Da
Monoisotopic Mass: 0.3
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]+	171.14918	139.4
[M+Na]+	193.13112	148.8
[M+NH4]+	188.17572	146.9
[M+K]+	209.10506	144.3
[M-H]-	169.13462	140.2
[M+Na-2H]-	191.11657	143.1
[M]+	170.14135	140.7
[M]-	170.14245	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe