CID 21180639

301184-50-9

Structural Information

Molecular Formula

C₁₃H₂₁NO₃

SMILES

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

InChI

InChI=1S/C13H21NO3/c1-5-6-13(16)7-9-14(10-8-13)11(15)17-12(2,3)4/h1,16H,6-10H2,2-4H3

InChIKey

PSIWSTCZAIQSON-UHFFFAOYSA-N

Compound name

tert-butyl 4-hydroxy-4-prop-2-ynylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 239.15215 Da
Monoisotopic Mass: 1.4
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	153.6
[M+Na]+	262.14137	162.0
[M+NH4]+	257.18597	157.3
[M+K]+	278.11531	153.6
[M-H]-	238.14487	144.5
[M+Na-2H]-	260.12682	154.6
[M]+	239.15160	151.3
[M]-	239.15270	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe