CID 138920

1,4-dioxaspiro[4.5]dec-7-ene

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2(CC=C1)OCCO2
InChI
InChI=1S/C8H12O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-2H,3-7H2
InChIKey
AHIKUUYIVLCZGL-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]dec-7-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

140.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 126.8
[M+Na]+ 163.072938 132.7
[M-H]- 139.076444 133.1
[M+NH4]+ 158.117543 149.3
[M+K]+ 179.046878 134.2
[M+H-H2O]+ 123.080980 122.0
[M+HCOO]- 185.081921 146.8
[M+CH3COO]- 199.097571 140.8
[M+Na-2H]- 161.058386 135.7
[M]+ 140.08317142 123.6
[M]- 140.08426858 123.6
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