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]+ 209.080836 140.5
[M+Na]+ 231.062778 149.9
[M-H]- 207.066284 146.5
[M+NH4]+ 226.107383 162.2
[M+K]+ 247.036718 149.8
[M+H-H2O]+ 191.070820 137.3
[M+HCOO]- 253.071761 160.2
[M+CH3COO]- 267.087411 154.8
[M+Na-2H]- 229.048226 146.1
[M]+ 208.07301142 143.8
[M]- 208.07410858 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.