CID 2756784

Tert-butyl 2-cyanopiperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCCC1C#N

InChI

InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-7H2,1-3H3

InChIKey

LKAJZBMOVZIKHA-UHFFFAOYSA-N

Compound name

tert-butyl 2-cyanopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 210.13683 Da
Monoisotopic Mass: 1.8
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]+	211.14411	148.2
[M+Na]+	233.12605	155.3
[M-H]-	209.12955	149.6
[M+NH4]+	228.17065	164.0
[M+K]+	249.09999	154.0
[M+H-H2O]+	193.13409	135.6
[M+HCOO]-	255.13503	161.8
[M+CH3COO]-	269.15068	197.6
[M+Na-2H]-	231.11150	151.3
[M]+	210.13628	141.4
[M]-	210.13738	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe