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

37
Patents

268.12454 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13182 159.7
[M+Na]+ 291.11376 169.4
[M-H]- 267.11726 164.5
[M+NH4]+ 286.15836 178.4
[M+K]+ 307.08770 166.1
[M+H-H2O]+ 251.12180 153.6
[M+HCOO]- 313.12274 174.0
[M+CH3COO]- 327.13839 194.5
[M+Na-2H]- 289.09921 161.0
[M]+ 268.12399 162.4
[M]- 268.12509 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe