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

5
Patents

138.06808 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 111.7
[M+Na]+ 161.05730 120.7
[M-H]- 137.06080 116.9
[M+NH4]+ 156.10190 126.7
[M+K]+ 177.03124 122.7
[M+H-H2O]+ 121.06534 98.3
[M+HCOO]- 183.06628 126.7
[M+CH3COO]- 197.08193 182.3
[M+Na-2H]- 159.04275 119.9
[M]+ 138.06753 113.9
[M]- 138.06863 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