CID 11414060

737008-52-5

Structural Information

Molecular Formula
C13H17NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC2CC(=C)C
InChI
InChI=1S/C13H17NO2S/c1-10(2)8-12-9-14(12)17(15,16)13-6-4-11(3)5-7-13/h4-7,12H,1,8-9H2,2-3H3
InChIKey
HEHZZQCIQWOJKO-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-2-(2-methylprop-2-enyl)aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.098 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10528 154.5
[M+Na]+ 274.08722 164.4
[M-H]- 250.09072 160.9
[M+NH4]+ 269.13182 166.4
[M+K]+ 290.06116 159.5
[M+H-H2O]+ 234.09526 147.5
[M+HCOO]- 296.09620 170.4
[M+CH3COO]- 310.11185 196.0
[M+Na-2H]- 272.07267 156.2
[M]+ 251.09745 159.8
[M]- 251.09855 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.