CID 53432564

885268-87-1

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)NCCCC1CCNCC1

InChI

InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-8-4-5-11-6-9-14-10-7-11/h11,14H,4-10H2,1-3H3,(H,15,16)

InChIKey

BCVMKVMKZSEQIX-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-piperidin-4-ylpropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 242.19943 Da
Monoisotopic Mass: 2.0
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]+	243.206706	162.0
[M+Na]+	265.188648	163.9
[M-H]-	241.192154	161.2
[M+NH4]+	260.233253	177.0
[M+K]+	281.162588	162.1
[M+H-H2O]+	225.196690	155.1
[M+HCOO]-	287.197631	177.2
[M+CH3COO]-	301.213281	191.8
[M+Na-2H]-	263.174096	164.5
[M]+	242.19888142	157.8
[M]-	242.19997858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe