CID 544875

2-methyl-1-tosyl-aziridine

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

CC1CN1S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C10H13NO2S/c1-8-3-5-10(6-4-8)14(12,13)11-7-9(11)2/h3-6,9H,7H2,1-2H3

InChIKey

DRZLZRGBQZRSJI-UHFFFAOYSA-N

Compound name

2-methyl-1-(4-methylphenyl)sulfonylaziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 211.0667 Da
Monoisotopic Mass: 1.6
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]+	212.07398	144.1
[M+Na]+	234.05592	155.4
[M-H]-	210.05942	151.0
[M+NH4]+	229.10052	157.8
[M+K]+	250.02986	151.3
[M+H-H2O]+	194.06396	137.4
[M+HCOO]-	256.06490	161.7
[M+CH3COO]-	270.08055	187.5
[M+Na-2H]-	232.04137	148.1
[M]+	211.06615	149.6
[M]-	211.06725	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe