CID 122163504

5-oxaspiro[3.4]octan-7-one

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC2(C1)CC(=O)CO2
InChI
InChI=1S/C7H10O2/c8-6-4-7(9-5-6)2-1-3-7/h1-5H2
InChIKey
YYVWDWZUPGJNBO-UHFFFAOYSA-N
Compound name
5-oxaspiro[3.4]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 116.1
[M+Na]+ 149.05730 122.3
[M-H]- 125.06080 122.5
[M+NH4]+ 144.10190 134.4
[M+K]+ 165.03124 125.6
[M+H-H2O]+ 109.06534 108.1
[M+HCOO]- 171.06628 137.2
[M+CH3COO]- 185.08193 171.1
[M+Na-2H]- 147.04275 123.9
[M]+ 126.06753 122.8
[M]- 126.06863 122.8
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.