CID 343120

1,4-dioxaspiro[4.6]undeca-6,10-diene

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CC=CC2(C=C1)OCCO2
InChI
InChI=1S/C9H12O2/c1-2-4-6-9(5-3-1)10-7-8-11-9/h3-6H,1-2,7-8H2
InChIKey
YSFODKFEYFZXRY-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.6]undeca-6,10-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 126.4
[M+Na]+ 175.072938 130.9
[M-H]- 151.076444 133.7
[M+NH4]+ 170.117543 146.8
[M+K]+ 191.046878 134.5
[M+H-H2O]+ 135.080980 122.0
[M+HCOO]- 197.081921 146.5
[M+CH3COO]- 211.097571 139.8
[M+Na-2H]- 173.058386 135.1
[M]+ 152.08317142 121.7
[M]- 152.08426858 121.7
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

No patent data available for this compound.