CID 155970217

2-ethynyl-7-oxabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C8H10O
SMILES
C#CC1CC2CCC1O2
InChI
InChI=1S/C8H10O/c1-2-6-5-7-3-4-8(6)9-7/h1,6-8H,3-5H2
InChIKey
PCCVWRUEIPVQLB-UHFFFAOYSA-N
Compound name
2-ethynyl-7-oxabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

122.073166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080442 124.2
[M+Na]+ 145.062384 135.4
[M-H]- 121.065890 126.4
[M+NH4]+ 140.106989 147.8
[M+K]+ 161.036324 131.0
[M+H-H2O]+ 105.070426 114.4
[M+HCOO]- 167.071367 140.0
[M+CH3COO]- 181.087017 137.3
[M+Na-2H]- 143.047832 129.0
[M]+ 122.07261742 118.5
[M]- 122.07371458 118.5
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

patents stripe