CID 47210

64059-08-1

Structural Information

Molecular Formula
C12H17NO4S
SMILES
CCN(C(=O)OCC)S(=O)(=O)C1=CC=CC=C1C
InChI
InChI=1S/C12H17NO4S/c1-4-13(12(14)17-5-2)18(15,16)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
InChIKey
YCOAIRMWNKMUKY-UHFFFAOYSA-N
Compound name
ethyl N-ethyl-N-(2-methylphenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09511 159.3
[M+Na]+ 294.07705 166.2
[M-H]- 270.08055 164.4
[M+NH4]+ 289.12165 176.5
[M+K]+ 310.05099 165.0
[M+H-H2O]+ 254.08509 152.6
[M+HCOO]- 316.08603 177.8
[M+CH3COO]- 330.10168 199.1
[M+Na-2H]- 292.06250 161.7
[M]+ 271.08728 165.6
[M]- 271.08838 165.6
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.