CID 178244136

1-(thiolan-1-ium-1-yl)but-2-en-2-ol

Structural Information

Molecular Formula
C8H15OS
SMILES
CC=C(C[S+]1CCCC1)O
InChI
InChI=1S/C8H14OS/c1-2-8(9)7-10-5-3-4-6-10/h2H,3-7H2,1H3/p+1
InChIKey
AZODSDUHWVKDPX-UHFFFAOYSA-O
Compound name
1-(thiolan-1-ium-1-yl)but-2-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08437 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.091646 136.2
[M+Na]+ 182.073588 141.9
[M-H]- 158.077094 138.4
[M+NH4]+ 177.118193 158.3
[M+K]+ 198.047528 134.3
[M+H-H2O]+ 142.081630 134.2
[M+HCOO]- 204.082571 151.3
[M+CH3COO]- 218.098221 165.0
[M+Na-2H]- 180.059036 137.8
[M]+ 159.08382142 132.6
[M]- 159.08491858 132.6
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.