CID 442667

Anhydroglycinol

Structural Information

Molecular Formula
C15H10O4
SMILES
C1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O
InChI
InChI=1S/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2
InChIKey
WYIDBNAGSMCMET-UHFFFAOYSA-N
Compound name
6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

254.0579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.065176 149.7
[M+Na]+ 277.047118 161.4
[M-H]- 253.050624 156.3
[M+NH4]+ 272.091723 168.3
[M+K]+ 293.021058 158.8
[M+H-H2O]+ 237.055160 144.5
[M+HCOO]- 299.056101 168.3
[M+CH3COO]- 313.071751 163.5
[M+Na-2H]- 275.032566 159.0
[M]+ 254.05735142 153.9
[M]- 254.05844858 153.9
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