CID 56698905

1308384-31-7

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)(CN)O

InChI

InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-6-4-5-11(15,7-12)8-13/h15H,4-8,12H2,1-3H3

InChIKey

RXAPIVVEFHXCTQ-UHFFFAOYSA-N

Compound name

tert-butyl 3-(aminomethyl)-3-hydroxypiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 230.16304 Da
Monoisotopic Mass: -0.1
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]+	231.17032	153.8
[M+Na]+	253.15226	160.7
[M+NH4]+	248.19686	160.8
[M+K]+	269.12620	156.1
[M-H]-	229.15576	152.6
[M+Na-2H]-	251.13771	157.1
[M]+	230.16249	154.1
[M]-	230.16359	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe