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: 45
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]+	240.159426	157.3
[M+Na]+	262.141368	164.0
[M-H]-	238.144874	156.2
[M+NH4]+	257.185973	171.4
[M+K]+	278.115308	161.1
[M+H-H2O]+	222.149410	145.3
[M+HCOO]-	284.150351	167.0
[M+CH3COO]-	298.166001	194.6
[M+Na-2H]-	260.126816	158.4
[M]+	239.15160142	149.8
[M]-	239.15269858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe