CID 175762

1-ethynyl-4-tert-butylbicycloorthocarboxylate

Structural Information

Molecular Formula
C11H16O3
SMILES
CC(C)(C)C12COC(OC1)(OC2)C#C
InChI
InChI=1S/C11H16O3/c1-5-11-12-6-10(7-13-11,8-14-11)9(2,3)4/h1H,6-8H2,2-4H3
InChIKey
MIKOLWYFKPQXQJ-UHFFFAOYSA-N
Compound name
4-tert-butyl-1-ethynyl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 150.5
[M+Na]+ 219.09916 160.2
[M+NH4]+ 214.14376 158.9
[M+K]+ 235.07310 149.0
[M-H]- 195.10266 143.7
[M+Na-2H]- 217.08461 147.3
[M]+ 196.10939 149.6
[M]- 196.11049 149.6
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.