CID 165703192

1-ethynyl-2-oxatricyclo[3.3.1.1,3,7]decane

Structural Information

Molecular Formula
C11H14O
SMILES
C#CC12CC3CC(C1)CC(C3)O2
InChI
InChI=1S/C11H14O/c1-2-11-6-8-3-9(7-11)5-10(4-8)12-11/h1,8-10H,3-7H2
InChIKey
IHWAEPXNSXFHKQ-UHFFFAOYSA-N
Compound name
1-ethynyl-2-oxatricyclo[3.3.1.13,7]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 135.8
[M+Na]+ 185.093678 144.4
[M-H]- 161.097184 133.0
[M+NH4]+ 180.138283 160.0
[M+K]+ 201.067618 134.9
[M+H-H2O]+ 145.101720 125.7
[M+HCOO]- 207.102661 140.0
[M+CH3COO]- 221.118311 145.4
[M+Na-2H]- 183.079126 147.3
[M]+ 162.10391142 131.7
[M]- 162.10500858 131.7
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.