CID 126588

1-(p-tosyl)-3,4,4-trimethylimidazolidine

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(N(C2)C)(C)C

InChI

InChI=1S/C13H20N2O2S/c1-11-5-7-12(8-6-11)18(16,17)15-9-13(2,3)14(4)10-15/h5-8H,9-10H2,1-4H3

InChIKey

PAPAFDSNHZAZHR-UHFFFAOYSA-N

Compound name

3,4,4-trimethyl-1-(4-methylphenyl)sulfonylimidazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 268.12454 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]+	269.13182	162.1
[M+Na]+	291.11376	173.3
[M+NH4]+	286.15836	170.6
[M+K]+	307.08770	165.9
[M-H]-	267.11726	163.3
[M+Na-2H]-	289.09921	168.4
[M]+	268.12399	164.6
[M]-	268.12509	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe