CID 23282843

236406-21-6

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: 269
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]+	230.17508	154.9
[M+Na]+	252.15702	163.2
[M+NH4]+	247.20162	162.4
[M+K]+	268.13096	157.7
[M-H]-	228.16052	153.6
[M+Na-2H]-	250.14247	158.6
[M]+	229.16725	155.6
[M]-	229.16835	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe