CID 71463904

1205749-01-4

Structural Information

Molecular Formula

C₁₁H₁₉N₃O₂

SMILES

CC(C)(C)OC(=O)NC1(CCNCC1)C#N

InChI

InChI=1S/C11H19N3O2/c1-10(2,3)16-9(15)14-11(8-12)4-6-13-7-5-11/h13H,4-7H2,1-3H3,(H,14,15)

InChIKey

LIVIABCTKQGIPN-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-cyanopiperidin-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 225.14772 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]+	226.15500	154.9
[M+Na]+	248.13694	160.9
[M-H]-	224.14044	154.9
[M+NH4]+	243.18154	170.7
[M+K]+	264.11088	158.7
[M+H-H2O]+	208.14498	142.9
[M+HCOO]-	270.14592	167.9
[M+CH3COO]-	284.16157	198.3
[M+Na-2H]-	246.12239	159.3
[M]+	225.14717	145.6
[M]-	225.14827	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe