CID 165655102

{4-ethynyl-2-oxabicyclo[2.1.1]hexan-1-yl}methanol

Structural Information

Molecular Formula
C8H10O2
SMILES
C#CC12CC(C1)(OC2)CO
InChI
InChI=1S/C8H10O2/c1-2-7-3-8(4-7,5-9)10-6-7/h1,9H,3-6H2
InChIKey
AZHXRXDCCFAKPT-UHFFFAOYSA-N
Compound name
(4-ethynyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 131.2
[M+Na]+ 161.05730 142.3
[M-H]- 137.06080 132.0
[M+NH4]+ 156.10190 153.3
[M+K]+ 177.03124 138.8
[M+H-H2O]+ 121.06534 121.0
[M+HCOO]- 183.06628 143.7
[M+CH3COO]- 197.08193 143.6
[M+Na-2H]- 159.04275 140.5
[M]+ 138.06753 138.5
[M]- 138.06863 138.5
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.