CID 14204594

117032-81-2

Structural Information

Molecular Formula

C₁₂H₁₉ClN₂O₂

SMILES

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

InChI

InChI=1S/C12H19ClN2O2/c1-11(2,3)17-10(16)15-6-4-12(8-13,9-14)5-7-15/h4-8H2,1-3H3

InChIKey

ZWSWUDWUDLAILP-UHFFFAOYSA-N

Compound name

tert-butyl 4-(chloromethyl)-4-cyanopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 258.1135 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]+	259.12078	157.0
[M+Na]+	281.10272	165.7
[M-H]-	257.10622	158.8
[M+NH4]+	276.14732	173.9
[M+K]+	297.07666	161.9
[M+H-H2O]+	241.11076	146.0
[M+HCOO]-	303.11170	166.5
[M+CH3COO]-	317.12735	203.2
[M+Na-2H]-	279.08817	160.6
[M]+	258.11295	152.7
[M]-	258.11405	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe