CID 79952920

3-ethynylthiolan-3-ol

Structural Information

Molecular Formula
C6H8OS
SMILES
C#CC1(CCSC1)O
InChI
InChI=1S/C6H8OS/c1-2-6(7)3-4-8-5-6/h1,7H,3-5H2
InChIKey
CXJFEYPWUORAQQ-UHFFFAOYSA-N
Compound name
3-ethynylthiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

128.02959 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03687 130.3
[M+Na]+ 151.01881 141.3
[M-H]- 127.02231 132.6
[M+NH4]+ 146.06341 153.6
[M+K]+ 166.99275 137.4
[M+H-H2O]+ 111.02685 120.9
[M+HCOO]- 173.02779 142.3
[M+CH3COO]- 187.04344 174.3
[M+Na-2H]- 149.00426 132.8
[M]+ 128.02904 124.0
[M]- 128.03014 124.0
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

patents stripe