CID 561274

N-tosylaziridine

Structural Information

Molecular Formula

C₉H₁₁NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC2

InChI

InChI=1S/C9H11NO2S/c1-8-2-4-9(5-3-8)13(11,12)10-6-7-10/h2-5H,6-7H2,1H3

InChIKey

VBNWSEVVMYMVLC-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)sulfonylaziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 488
Patents: 197.05106 Da
Monoisotopic Mass: 1.2
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]+	198.05834	146.6
[M+Na]+	220.04028	160.4
[M+NH4]+	215.08488	155.4
[M+K]+	236.01422	154.1
[M-H]-	196.04378	155.4
[M+Na-2H]-	218.02573	155.7
[M]+	197.05051	152.7
[M]-	197.05161	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe