CID 458016

Nsc636671

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=CC(=C2C3CCOC3OC2=C1)O
InChI
InChI=1S/C11H12O4/c1-13-6-4-8(12)10-7-2-3-14-11(7)15-9(10)5-6/h4-5,7,11-12H,2-3H2,1H3
InChIKey
YNPOSBONXFRQDW-UHFFFAOYSA-N
Compound name
6-methoxy-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 140.5
[M+Na]+ 231.06278 149.9
[M-H]- 207.06628 146.5
[M+NH4]+ 226.10738 162.2
[M+K]+ 247.03672 149.8
[M+H-H2O]+ 191.07082 137.3
[M+HCOO]- 253.07176 160.2
[M+CH3COO]- 267.08741 154.8
[M+Na-2H]- 229.04823 146.1
[M]+ 208.07301 143.8
[M]- 208.07411 143.8
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.