CID 46835621

530115-96-9

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₂

SMILES

CC1(CCN(CC1)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14/h5-8H2,1-4H3

InChIKey

VREJUXWEWOVHHU-UHFFFAOYSA-N

Compound name

tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 224.15248 Da
Monoisotopic Mass: 1.7
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]+	225.15976	151.8
[M+Na]+	247.14170	159.7
[M-H]-	223.14520	153.6
[M+NH4]+	242.18630	169.1
[M+K]+	263.11564	157.8
[M+H-H2O]+	207.14974	140.1
[M+HCOO]-	269.15068	165.2
[M+CH3COO]-	283.16633	199.9
[M+Na-2H]-	245.12715	155.7
[M]+	224.15193	145.8
[M]-	224.15303	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe