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]+ 143.052516 134.1
[M+Na]+ 165.034458 144.7
[M-H]- 141.037964 136.2
[M+NH4]+ 160.079063 156.9
[M+K]+ 181.008398 140.6
[M+H-H2O]+ 125.042500 124.5
[M+HCOO]- 187.043441 145.8
[M+CH3COO]- 201.059091 177.0
[M+Na-2H]- 163.019906 136.1
[M]+ 142.04469142 128.1
[M]- 142.04578858 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.