CID 46077

Carbamic acid, octylsulfonyl-, ethyl ester

Structural Information

Molecular Formula
C11H23NO4S
SMILES
CCCCCCCCS(=O)(=O)NC(=O)OCC
InChI
InChI=1S/C11H23NO4S/c1-3-5-6-7-8-9-10-17(14,15)12-11(13)16-4-2/h3-10H2,1-2H3,(H,12,13)
InChIKey
PTIPDPUBNRRYBK-UHFFFAOYSA-N
Compound name
ethyl N-octylsulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.13477 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14205 163.6
[M+Na]+ 288.12399 169.6
[M+NH4]+ 283.16859 168.3
[M+K]+ 304.09793 163.8
[M-H]- 264.12749 160.6
[M+Na-2H]- 286.10944 163.5
[M]+ 265.13422 163.6
[M]- 265.13532 163.6
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.