CID 3363251

Dtxsid20918678

Structural Information

Molecular Formula
C8H16OS
SMILES
CCCCC1CCS(=O)C1
InChI
InChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3
InChIKey
QVVQIIIFHZDBDL-UHFFFAOYSA-N
Compound name
3-butylthiolane 1-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

28
Patents

160.0922 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.099476 135.0
[M+Na]+ 183.081418 142.3
[M-H]- 159.084924 138.6
[M+NH4]+ 178.126023 158.5
[M+K]+ 199.055358 140.5
[M+H-H2O]+ 143.089460 130.2
[M+HCOO]- 205.090401 152.8
[M+CH3COO]- 219.106051 175.5
[M+Na-2H]- 181.066866 135.3
[M]+ 160.09165142 135.9
[M]- 160.09274858 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe