CID 3088091

Brn 5563567

Structural Information

Molecular Formula
C10H19ClN2O4S
SMILES
CN(C(=O)OCCCl)S(=O)(=O)NC1CCCCC1
InChI
InChI=1S/C10H19ClN2O4S/c1-13(10(14)17-8-7-11)18(15,16)12-9-5-3-2-4-6-9/h9,12H,2-8H2,1H3
InChIKey
DMMLSJWFJZEPDD-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(cyclohexylsulfamoyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0754 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08268 163.5
[M+Na]+ 321.06462 167.0
[M-H]- 297.06812 167.3
[M+NH4]+ 316.10922 179.5
[M+K]+ 337.03856 165.1
[M+H-H2O]+ 281.07266 157.9
[M+HCOO]- 343.07360 175.0
[M+CH3COO]- 357.08925 201.8
[M+Na-2H]- 319.05007 165.3
[M]+ 298.07485 165.8
[M]- 298.07595 165.8
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.