CID 3363251

3-butylthiolane 1-oxide

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
1
Annotation Hits

3
References

19
Patents

160.0922 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09948 135.9
[M+Na]+ 183.08142 145.6
[M+NH4]+ 178.12602 145.3
[M+K]+ 199.05536 138.8
[M-H]- 159.08492 137.6
[M+Na-2H]- 181.06687 139.3
[M]+ 160.09165 138.1
[M]- 160.09275 138.1
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