CID 22644642

181269-69-2

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC1CN(CCC1=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C11H19NO3/c1-8-7-12(6-5-9(8)13)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3

InChIKey

VWSBNWIPICCWAM-UHFFFAOYSA-N

Compound name

tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 831
Patents: 213.13649 Da
Monoisotopic Mass: 1.1
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]+	214.14377	149.2
[M+Na]+	236.12571	158.6
[M+NH4]+	231.17031	155.5
[M+K]+	252.09965	154.8
[M-H]-	212.12921	148.3
[M+Na-2H]-	234.11116	151.8
[M]+	213.13594	150.0
[M]-	213.13704	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe