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]+ 153.09100 126.4
[M+Na]+ 175.07294 130.9
[M-H]- 151.07644 133.7
[M+NH4]+ 170.11754 146.8
[M+K]+ 191.04688 134.5
[M+H-H2O]+ 135.08098 122.0
[M+HCOO]- 197.08192 146.5
[M+CH3COO]- 211.09757 139.8
[M+Na-2H]- 173.05839 135.1
[M]+ 152.08317 121.7
[M]- 152.08427 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.