CID 132398699

6-oxaspiro[3.5]non-7-en-9-one

Structural Information

Molecular Formula
C8H10O2
SMILES
C1CC2(C1)COC=CC2=O
InChI
InChI=1S/C8H10O2/c9-7-2-5-10-6-8(7)3-1-4-8/h2,5H,1,3-4,6H2
InChIKey
OACSIGPTRZCTPV-UHFFFAOYSA-N
Compound name
6-oxaspiro[3.5]non-7-en-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.06808 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 118.9
[M+Na]+ 161.05730 125.2
[M-H]- 137.06080 125.4
[M+NH4]+ 156.10190 135.2
[M+K]+ 177.03124 128.4
[M+H-H2O]+ 121.06534 109.8
[M+HCOO]- 183.06628 139.3
[M+CH3COO]- 197.08193 173.9
[M+Na-2H]- 159.04275 128.6
[M]+ 138.06753 125.5
[M]- 138.06863 125.5
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

No patent data available for this compound.