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]+ 204.105276 144.1
[M+Na]+ 226.087218 150.4
[M-H]- 202.090724 148.8
[M+NH4]+ 221.131823 165.8
[M+K]+ 242.061158 148.4
[M+H-H2O]+ 186.095260 138.3
[M+HCOO]- 248.096201 158.2
[M+CH3COO]- 262.111851 178.4
[M+Na-2H]- 224.072666 144.7
[M]+ 203.09745142 140.3
[M]- 203.09854858 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.