CID 11138624

4-chloro-piperidine-1-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula

C₁₀H₁₈ClNO₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)Cl

InChI

InChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3

InChIKey

NZZWXABIGMMKQL-UHFFFAOYSA-N

Compound name

tert-butyl 4-chloropiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 219.1026 Da
Monoisotopic Mass: 2.3
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]+	220.10988	149.1
[M+Na]+	242.09182	155.3
[M-H]-	218.09532	150.7
[M+NH4]+	237.13642	167.3
[M+K]+	258.06576	153.2
[M+H-H2O]+	202.09986	143.9
[M+HCOO]-	264.10080	161.2
[M+CH3COO]-	278.11645	185.4
[M+Na-2H]-	240.07727	152.2
[M]+	219.10205	148.7
[M]-	219.10315	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe