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 129.4
[M+Na]+ 191.10426 142.2
[M-H]- 167.10776 132.5
[M+NH4]+ 186.14886 153.7
[M+K]+ 207.07820 138.2
[M+H-H2O]+ 151.11230 122.0
[M+HCOO]- 213.11324 144.8
[M+CH3COO]- 227.12889 185.2
[M+Na-2H]- 189.08971 136.1
[M]+ 168.11449 125.7
[M]- 168.11559 125.7
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.