CID 19097640

Schembl1053833

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC1(CC(CC(N1O)(C)C)OC(=O)C=C)C

InChI

InChI=1S/C12H21NO3/c1-6-10(14)16-9-7-11(2,3)13(15)12(4,5)8-9/h6,9,15H,1,7-8H2,2-5H3

InChIKey

WHJIUPYOJWWSMU-UHFFFAOYSA-N

Compound name

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 192
Patents: 227.15215 Da
Monoisotopic Mass: 2.0
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]+	228.159426	148.9
[M+Na]+	250.141368	156.5
[M-H]-	226.144874	150.0
[M+NH4]+	245.185973	169.6
[M+K]+	266.115308	155.3
[M+H-H2O]+	210.149410	145.0
[M+HCOO]-	272.150351	165.4
[M+CH3COO]-	286.166001	188.9
[M+Na-2H]-	248.126816	151.9
[M]+	227.15160142	148.6
[M]-	227.15269858	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe