CID 7577838

85908-96-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CCCCC1=O

InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(11)12/h4-7H2,1-3H3

InChIKey

ULMHMJAEGZPQRY-UHFFFAOYSA-N

Compound name

tert-butyl 2-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2039
Patents: 199.12085 Da
Monoisotopic Mass: 1.3
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]+	200.12813	145.2
[M+Na]+	222.11007	154.4
[M+NH4]+	217.15467	151.7
[M+K]+	238.08401	150.6
[M-H]-	198.11357	144.4
[M+Na-2H]-	220.09552	148.3
[M]+	199.12030	146.0
[M]-	199.12140	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe