CID 105102

Uti(68)

Structural Information

Molecular Formula
C13H16O3
SMILES
C1CC2(CC=C1)COC(OC2)C3=CC=CO3
InChI
InChI=1S/C13H16O3/c1-2-6-13(7-3-1)9-15-12(16-10-13)11-5-4-8-14-11/h1-2,4-5,8,12H,3,6-7,9-10H2
InChIKey
ODVKSTFPQDVPJZ-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-9-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

881
References

1865
Patents

220.10994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 147.3
[M+Na]+ 243.099158 152.5
[M-H]- 219.102664 157.1
[M+NH4]+ 238.143763 164.9
[M+K]+ 259.073098 153.8
[M+H-H2O]+ 203.107200 141.2
[M+HCOO]- 265.108141 164.8
[M+CH3COO]- 279.123791 159.9
[M+Na-2H]- 241.084606 154.4
[M]+ 220.10939142 144.3
[M]- 220.11048858 144.3
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