CID 52612

Isothiazolidine, 2-cyclohexyl-, 1,1-dioxide

Structural Information

Molecular Formula
C9H17NO2S
SMILES
C1CCC(CC1)N2CCCS2(=O)=O
InChI
InChI=1S/C9H17NO2S/c11-13(12)8-4-7-10(13)9-5-2-1-3-6-9/h9H,1-8H2
InChIKey
RGCKILOYRYXFHB-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.098 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10528 144.1
[M+Na]+ 226.08722 150.4
[M-H]- 202.09072 148.8
[M+NH4]+ 221.13182 165.8
[M+K]+ 242.06116 148.4
[M+H-H2O]+ 186.09526 138.3
[M+HCOO]- 248.09620 158.2
[M+CH3COO]- 262.11185 178.4
[M+Na-2H]- 224.07267 144.7
[M]+ 203.09745 140.3
[M]- 203.09855 140.3
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.