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]+ 161.09948 135.0
[M+Na]+ 183.08142 142.3
[M-H]- 159.08492 138.6
[M+NH4]+ 178.12602 158.5
[M+K]+ 199.05536 140.5
[M+H-H2O]+ 143.08946 130.2
[M+HCOO]- 205.09040 152.8
[M+CH3COO]- 219.10605 175.5
[M+Na-2H]- 181.06687 135.3
[M]+ 160.09165 135.9
[M]- 160.09275 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.