CID 2724212

38202-27-6

Structural Information

Molecular Formula
C13H19NO4S
SMILES
CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C
InChI
InChI=1S/C13H19NO4S/c1-6-17-12(5)14-18-19(15,16)13-10(3)7-9(2)8-11(13)4/h7-8H,6H2,1-5H3
InChIKey
KQCBSWBQAXTILK-UHFFFAOYSA-N
Compound name
ethyl N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

401
Patents

285.1035 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11078 165.7
[M+Na]+ 308.09272 176.1
[M+NH4]+ 303.13732 171.9
[M+K]+ 324.06666 169.5
[M-H]- 284.09622 166.3
[M+Na-2H]- 306.07817 169.6
[M]+ 285.10295 167.7
[M]- 285.10405 167.7
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

patents stripe