CID 11008131

1,4-dioxaspiro[4.5]dec-6-en-8-one

Structural Information

Molecular Formula
C8H10O3
SMILES
C1CC2(C=CC1=O)OCCO2
InChI
InChI=1S/C8H10O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1,3H,2,4-6H2
InChIKey
WEXSICJLVQFQNG-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]dec-6-en-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

154.06299 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 128.1
[M+Na]+ 177.052208 135.1
[M-H]- 153.055714 134.8
[M+NH4]+ 172.096813 150.2
[M+K]+ 193.026148 136.5
[M+H-H2O]+ 137.060250 123.6
[M+HCOO]- 199.061191 148.4
[M+CH3COO]- 213.076841 170.6
[M+Na-2H]- 175.037656 136.5
[M]+ 154.06244142 126.0
[M]- 154.06353858 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe