CID 45790084

Tert-butyl 2-methyl-3-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC1C(=O)CCCN1C(=O)OC(C)(C)C

InChI

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

InChIKey

GZOHWMOHDHOZOR-UHFFFAOYSA-N

Compound name

tert-butyl 2-methyl-3-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 213.13649 Da
Monoisotopic Mass: 1.4
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]+	214.143766	148.3
[M+Na]+	236.125708	154.6
[M-H]-	212.129214	150.3
[M+NH4]+	231.170313	166.2
[M+K]+	252.099648	154.2
[M+H-H2O]+	196.133750	142.7
[M+HCOO]-	258.134691	165.2
[M+CH3COO]-	272.150341	187.0
[M+Na-2H]-	234.111156	151.0
[M]+	213.13594142	147.7
[M]-	213.13703858	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe