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]+ 192.10528 140.0
[M+Na]+ 214.08722 147.9
[M-H]- 190.09072 142.4
[M+NH4]+ 209.13182 162.7
[M+K]+ 230.06116 146.6
[M+H-H2O]+ 174.09526 135.3
[M+HCOO]- 236.09620 156.0
[M+CH3COO]- 250.11185 179.5
[M+Na-2H]- 212.07267 140.7
[M]+ 191.09745 141.9
[M]- 191.09855 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.