CID 57599589

2126160-28-7

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₃

SMILES

CC(C)(C)OC(=O)NCCC1(CCNCC1)O

InChI

InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-9-6-12(16)4-7-13-8-5-12/h13,16H,4-9H2,1-3H3,(H,14,15)

InChIKey

HCRMFOSFQXTRGI-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(4-hydroxypiperidin-4-yl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 244.1787 Da
Monoisotopic Mass: 1.1
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]+	245.185976	160.2
[M+Na]+	267.167918	162.9
[M-H]-	243.171424	158.4
[M+NH4]+	262.212523	176.3
[M+K]+	283.141858	161.4
[M+H-H2O]+	227.175960	154.7
[M+HCOO]-	289.176901	174.4
[M+CH3COO]-	303.192551	188.0
[M+Na-2H]-	265.153366	164.2
[M]+	244.17815142	155.5
[M]-	244.17924858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe