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

12
Patents

126.06808 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 126.1
[M+Na]+ 149.057298 135.0
[M-H]- 125.060804 133.5
[M+NH4]+ 144.101903 144.2
[M+K]+ 165.031238 135.7
[M+H-H2O]+ 109.065340 120.9
[M+HCOO]- 171.066281 146.5
[M+CH3COO]- 185.081931 171.8
[M+Na-2H]- 147.042746 135.2
[M]+ 126.06753142 126.2
[M]- 126.06862858 126.2
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