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

351
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 162.3
[M+Na]+ 308.09272 170.8
[M-H]- 284.09622 167.9
[M+NH4]+ 303.13732 179.6
[M+K]+ 324.06666 168.9
[M+H-H2O]+ 268.10076 155.8
[M+HCOO]- 330.10170 181.5
[M+CH3COO]- 344.11735 203.7
[M+Na-2H]- 306.07817 164.1
[M]+ 285.10295 170.4
[M]- 285.10405 170.4
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