CID 137698756

6-oxaspiro[3.4]octan-7-one

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC2(C1)CC(=O)OC2
InChI
InChI=1S/C7H10O2/c8-6-4-7(5-9-6)2-1-3-7/h1-5H2
InChIKey
YCVCRVQAJBWTGP-UHFFFAOYSA-N
Compound name
6-oxaspiro[3.4]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

126.06808 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 122.9
[M+Na]+ 149.05730 128.7
[M+NH4]+ 144.10190 129.6
[M+K]+ 165.03124 125.6
[M-H]- 125.06080 123.3
[M+Na-2H]- 147.04275 126.5
[M]+ 126.06753 122.7
[M]- 126.06863 122.7
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