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 162.1
[M+Na]+ 288.12399 166.9
[M-H]- 264.12749 161.6
[M+NH4]+ 283.16859 178.8
[M+K]+ 304.09793 164.9
[M+H-H2O]+ 248.13203 155.9
[M+HCOO]- 310.13297 178.7
[M+CH3COO]- 324.14862 196.1
[M+Na-2H]- 286.10944 163.4
[M]+ 265.13422 168.7
[M]- 265.13532 168.7
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