CID 52615

73825-55-5

Structural Information

Molecular Formula
C8H17NO2S
SMILES
CCC(CC)N1CCCS1(=O)=O
InChI
InChI=1S/C8H17NO2S/c1-3-8(4-2)9-6-5-7-12(9,10)11/h8H,3-7H2,1-2H3
InChIKey
BTEJLJKXIHVFBE-UHFFFAOYSA-N
Compound name
2-pentan-3-yl-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.098 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.105276 140.0
[M+Na]+ 214.087218 147.9
[M-H]- 190.090724 142.4
[M+NH4]+ 209.131823 162.7
[M+K]+ 230.061158 146.6
[M+H-H2O]+ 174.095260 135.3
[M+HCOO]- 236.096201 156.0
[M+CH3COO]- 250.111851 179.5
[M+Na-2H]- 212.072666 140.7
[M]+ 191.09745142 141.9
[M]- 191.09854858 141.9
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.