CID 22730812

1-boc-4-methyl-piperidin-4-ol

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC1(CCN(CC1)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C11H21NO3/c1-10(2,3)15-9(13)12-7-5-11(4,14)6-8-12/h14H,5-8H2,1-4H3

InChIKey

SWUCHJAQBNXPBO-UHFFFAOYSA-N

Compound name

tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 442
Patents: 215.15215 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]+	216.159426	150.6
[M+Na]+	238.141368	156.1
[M-H]-	214.144874	151.0
[M+NH4]+	233.185973	169.5
[M+K]+	254.115308	155.7
[M+H-H2O]+	198.149410	145.8
[M+HCOO]-	260.150351	165.7
[M+CH3COO]-	274.166001	183.6
[M+Na-2H]-	236.126816	154.6
[M]+	215.15160142	148.7
[M]-	215.15269858	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe