CID 23282843

1-boc-4-(hydroxymethyl)-4-methylpiperidine

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

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

InChI

InChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h14H,5-9H2,1-4H3

InChIKey

YFYSPIRFZKBBAU-UHFFFAOYSA-N

Compound name

tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 226
Patents: 229.1678 Da
Monoisotopic Mass: 1.6
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]+	230.175076	155.1
[M+Na]+	252.157018	160.2
[M-H]-	228.160524	155.4
[M+NH4]+	247.201623	173.4
[M+K]+	268.130958	159.6
[M+H-H2O]+	212.165060	150.2
[M+HCOO]-	274.166001	169.9
[M+CH3COO]-	288.181651	186.6
[M+Na-2H]-	250.142466	158.6
[M]+	229.16725142	153.6
[M]-	229.16834858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe