CID 32268

3-ethynyl-2,2,5,5-tetramethyloxolan-3-ol

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1(CC(C(O1)(C)C)(C#C)O)C
InChI
InChI=1S/C10H16O2/c1-6-10(11)7-8(2,3)12-9(10,4)5/h1,11H,7H2,2-5H3
InChIKey
IFTDFENRDYQEEN-UHFFFAOYSA-N
Compound name
3-ethynyl-2,2,5,5-tetramethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 125.3
[M+Na]+ 191.10426 135.4
[M+NH4]+ 186.14886 133.5
[M+K]+ 207.07820 125.3
[M-H]- 167.10776 119.1
[M+Na-2H]- 189.08971 130.4
[M]+ 168.11449 124.5
[M]- 168.11559 124.5
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

No patent data available for this compound.