CID 42609283

914988-10-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCC(=O)C(C1)C#N

InChI

InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-5-4-9(14)8(6-12)7-13/h8H,4-5,7H2,1-3H3

InChIKey

VPFTZTMJPFIRAN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 224.11609 Da
Monoisotopic Mass: 0.6
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]+	225.12337	150.6
[M+Na]+	247.10531	159.4
[M+NH4]+	242.14991	153.3
[M+K]+	263.07925	152.7
[M-H]-	223.10881	142.5
[M+Na-2H]-	245.09076	150.9
[M]+	224.11554	148.5
[M]-	224.11664	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe