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 134.1
[M+Na]+ 165.03446 144.7
[M-H]- 141.03796 136.2
[M+NH4]+ 160.07906 156.9
[M+K]+ 181.00840 140.6
[M+H-H2O]+ 125.04250 124.5
[M+HCOO]- 187.04344 145.8
[M+CH3COO]- 201.05909 177.0
[M+Na-2H]- 163.01991 136.1
[M]+ 142.04469 128.1
[M]- 142.04579 128.1
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.