CID 13808290

5-oxaspiro[2.5]octan-4-one

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC2(CC2)C(=O)OC1
InChI
InChI=1S/C7H10O2/c8-6-7(3-4-7)2-1-5-9-6/h1-5H2
InChIKey
ICTDNSWGOBXWRP-UHFFFAOYSA-N
Compound name
5-oxaspiro[2.5]octan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

126.06808 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 128.3
[M+Na]+ 149.05730 141.3
[M+NH4]+ 144.10190 139.6
[M+K]+ 165.03124 135.3
[M-H]- 125.06080 139.2
[M+Na-2H]- 147.04275 137.8
[M]+ 126.06753 134.5
[M]- 126.06863 134.5
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