CID 22089052

4-butoxy-tempo

Structural Information

Molecular Formula

C₁₃H₂₇NO₂

SMILES

CCCCOC1CC(N(C(C1)(C)C)O)(C)C

InChI

InChI=1S/C13H27NO2/c1-6-7-8-16-11-9-12(2,3)14(15)13(4,5)10-11/h11,15H,6-10H2,1-5H3

InChIKey

OJNXTMASBDMLPH-UHFFFAOYSA-N

Compound name

4-butoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 182
Patents: 229.20418 Da
Monoisotopic Mass: 2.7
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]+	230.21146	153.4
[M+Na]+	252.19340	160.3
[M-H]-	228.19690	154.2
[M+NH4]+	247.23800	174.3
[M+K]+	268.16734	158.9
[M+H-H2O]+	212.20144	149.0
[M+HCOO]-	274.20238	170.0
[M+CH3COO]-	288.21803	191.3
[M+Na-2H]-	250.17885	156.8
[M]+	229.20363	154.1
[M]-	229.20473	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe