CID 591897

Ipomeabisfuran

Structural Information

Molecular Formula
C15H18O3
SMILES
CC1=COC(=C1)CC2(CCC(O2)C3=COC=C3)C
InChI
InChI=1S/C15H18O3/c1-11-7-13(17-9-11)8-15(2)5-3-14(18-15)12-4-6-16-10-12/h4,6-7,9-10,14H,3,5,8H2,1-2H3
InChIKey
LMSPQIDVRZANSJ-UHFFFAOYSA-N
Compound name
2-[[5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]-4-methylfuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

246.1256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 152.1
[M+Na]+ 269.11482 161.3
[M-H]- 245.11832 164.8
[M+NH4]+ 264.15942 172.7
[M+K]+ 285.08876 162.2
[M+H-H2O]+ 229.12286 149.1
[M+HCOO]- 291.12380 176.2
[M+CH3COO]- 305.13945 167.1
[M+Na-2H]- 267.10027 155.6
[M]+ 246.12505 157.4
[M]- 246.12615 157.4
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