CID 15699917

137344-86-6

Structural Information

Molecular Formula
C6H8O2
SMILES
C#CC1(CCOC1)O
InChI
InChI=1S/C6H8O2/c1-2-6(7)3-4-8-5-6/h1,7H,3-5H2
InChIKey
MDKYDLOXSGSJCT-UHFFFAOYSA-N
Compound name
3-ethynyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

112.05243 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.059706 119.4
[M+Na]+ 135.041648 129.9
[M-H]- 111.045154 121.2
[M+NH4]+ 130.086253 141.3
[M+K]+ 151.015588 127.4
[M+H-H2O]+ 95.049690 109.7
[M+HCOO]- 157.050631 135.6
[M+CH3COO]- 171.066281 172.4
[M+Na-2H]- 133.027096 126.2
[M]+ 112.05188142 112.5
[M]- 112.05297858 112.5
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