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
2
Annotation Hits

0
References

80
Patents

285.1035 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.110776 162.3
[M+Na]+ 308.092718 170.8
[M-H]- 284.096224 167.9
[M+NH4]+ 303.137323 179.6
[M+K]+ 324.066658 168.9
[M+H-H2O]+ 268.100760 155.8
[M+HCOO]- 330.101701 181.5
[M+CH3COO]- 344.117351 203.7
[M+Na-2H]- 306.078166 164.1
[M]+ 285.10295142 170.4
[M]- 285.10404858 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