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]+ 163.11174 135.8
[M+Na]+ 185.09368 144.4
[M-H]- 161.09718 133.0
[M+NH4]+ 180.13828 160.0
[M+K]+ 201.06762 134.9
[M+H-H2O]+ 145.10172 125.7
[M+HCOO]- 207.10266 140.0
[M+CH3COO]- 221.11831 145.4
[M+Na-2H]- 183.07913 147.3
[M]+ 162.10391 131.7
[M]- 162.10501 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.