CID 22091429

331281-25-5

Structural Information

Molecular Formula

C₁₁H₁₉N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)N

InChI

InChI=1S/C11H19N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-7,13H2,1-3H3

InChIKey

ZDAOYEIIJSEFSW-UHFFFAOYSA-N

Compound name

tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 225.14772 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]+	226.15500	153.7
[M+Na]+	248.13694	160.8
[M-H]-	224.14044	154.8
[M+NH4]+	243.18154	170.2
[M+K]+	264.11088	159.2
[M+H-H2O]+	208.14498	141.7
[M+HCOO]-	270.14592	167.5
[M+CH3COO]-	284.16157	201.1
[M+Na-2H]-	246.12239	157.1
[M]+	225.14717	145.5
[M]-	225.14827	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe