CID 21912753

419571-73-6

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CCC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H23NO3/c1-5-11(15)10-6-8-14(9-7-10)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3

InChIKey

IGSFTWJIBCDRRD-UHFFFAOYSA-N

Compound name

tert-butyl 4-propanoylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 241.1678 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]+	242.17508	157.7
[M+Na]+	264.15702	162.0
[M-H]-	240.16052	159.0
[M+NH4]+	259.20162	174.1
[M+K]+	280.13096	161.6
[M+H-H2O]+	224.16506	151.5
[M+HCOO]-	286.16600	172.9
[M+CH3COO]-	300.18165	192.7
[M+Na-2H]-	262.14247	158.8
[M]+	241.16725	156.8
[M]-	241.16835	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe