CID 327313

2-(1-heptynyl)-1-oxaspiro(2.5)octane

Structural Information

Molecular Formula
C14H22O
SMILES
CCCCCC#CC1C2(O1)CCCCC2
InChI
InChI=1S/C14H22O/c1-2-3-4-5-7-10-13-14(15-13)11-8-6-9-12-14/h13H,2-6,8-9,11-12H2,1H3
InChIKey
BEOAOPNHJBZPBB-UHFFFAOYSA-N
Compound name
2-hept-1-ynyl-1-oxaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 143.1
[M+Na]+ 229.15629 156.8
[M-H]- 205.15979 149.8
[M+NH4]+ 224.20089 158.7
[M+K]+ 245.13023 150.3
[M+H-H2O]+ 189.16433 134.1
[M+HCOO]- 251.16527 158.2
[M+CH3COO]- 265.18092 195.4
[M+Na-2H]- 227.14174 150.3
[M]+ 206.16652 141.0
[M]- 206.16762 141.0
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.