CID 561274

1-(4-methylbenzenesulfonyl)aziridine

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

504
Patents

197.05106 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 140.6
[M+Na]+ 220.04028 151.4
[M-H]- 196.04378 147.3
[M+NH4]+ 215.08488 154.5
[M+K]+ 236.01422 147.7
[M+H-H2O]+ 180.04832 133.8
[M+HCOO]- 242.04926 158.5
[M+CH3COO]- 256.06491 183.5
[M+Na-2H]- 218.02573 145.6
[M]+ 197.05051 145.3
[M]- 197.05161 145.3
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