CID 71755573

3-(prop-2-yn-1-yl)thiolan-3-ol

Structural Information

Molecular Formula
C7H10OS
SMILES
C#CCC1(CCSC1)O
InChI
InChI=1S/C7H10OS/c1-2-3-7(8)4-5-9-6-7/h1,8H,3-6H2
InChIKey
CLSSLTXRTNOMHQ-UHFFFAOYSA-N
Compound name
3-prop-2-ynylthiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.04524 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05252 123.6
[M+Na]+ 165.03446 133.0
[M+NH4]+ 160.07906 130.6
[M+K]+ 181.00840 123.0
[M-H]- 141.03796 116.9
[M+Na-2H]- 163.01991 126.5
[M]+ 142.04469 122.7
[M]- 142.04579 122.7
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.