CID 72208254

2-ethynyl-5,8-dioxaspiro[3.4]octane

Structural Information

Molecular Formula
C8H10O2
SMILES
C#CC1CC2(C1)OCCO2
InChI
InChI=1S/C8H10O2/c1-2-7-5-8(6-7)9-3-4-10-8/h1,7H,3-6H2
InChIKey
VPUXPPJOFRHHAQ-UHFFFAOYSA-N
Compound name
2-ethynyl-5,8-dioxaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

138.06808 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 111.7
[M+Na]+ 161.057298 120.7
[M-H]- 137.060804 116.9
[M+NH4]+ 156.101903 126.7
[M+K]+ 177.031238 122.7
[M+H-H2O]+ 121.065340 98.3
[M+HCOO]- 183.066281 126.7
[M+CH3COO]- 197.081931 182.3
[M+Na-2H]- 159.042746 119.9
[M]+ 138.06753142 113.9
[M]- 138.06862858 113.9
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