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

10
Patents

128.02959 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.036866 130.3
[M+Na]+ 151.018808 141.3
[M-H]- 127.022314 132.6
[M+NH4]+ 146.063413 153.6
[M+K]+ 166.992748 137.4
[M+H-H2O]+ 111.026850 120.9
[M+HCOO]- 173.027791 142.3
[M+CH3COO]- 187.043441 174.3
[M+Na-2H]- 149.004256 132.8
[M]+ 128.02904142 124.0
[M]- 128.03013858 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