CID 23447302

239073-94-0

Structural Information

Molecular Formula

C₁₂H₂₃NO₄

SMILES

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

InChI

InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-7-5-12(9-14,16-4)6-8-13/h14H,5-9H2,1-4H3

InChIKey

AXXVKHFKOZNEOR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 245.1627 Da
Monoisotopic Mass: 0.7
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]+	246.16998	157.9
[M+Na]+	268.15192	162.9
[M-H]-	244.15542	158.1
[M+NH4]+	263.19652	175.4
[M+K]+	284.12586	162.8
[M+H-H2O]+	228.15996	152.7
[M+HCOO]-	290.16090	172.9
[M+CH3COO]-	304.17655	188.7
[M+Na-2H]-	266.13737	161.6
[M]+	245.16215	157.8
[M]-	245.16325	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe