CID 69786345

403802-41-5

Structural Information

Molecular Formula

C₁₃H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C#CCO

InChI

InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-8-6-11(7-9-14)5-4-10-15/h11,15H,6-10H2,1-3H3

InChIKey

FUIPHCXERBVLBP-UHFFFAOYSA-N

Compound name

tert-butyl 4-(3-hydroxyprop-1-ynyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 239.15215 Da
Monoisotopic Mass: 1.2
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]+	240.15943	156.4
[M+Na]+	262.14137	164.7
[M+NH4]+	257.18597	158.8
[M+K]+	278.11531	157.6
[M-H]-	238.14487	147.3
[M+Na-2H]-	260.12682	155.7
[M]+	239.15160	153.9
[M]-	239.15270	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe