CID 165655102

2792217-02-6

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]+ 139.075356 131.2
[M+Na]+ 161.057298 142.3
[M-H]- 137.060804 132.0
[M+NH4]+ 156.101903 153.3
[M+K]+ 177.031238 138.8
[M+H-H2O]+ 121.065340 121.0
[M+HCOO]- 183.066281 143.7
[M+CH3COO]- 197.081931 143.6
[M+Na-2H]- 159.042746 140.5
[M]+ 138.06753142 138.5
[M]- 138.06862858 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.