CID 5315768

Celereoin

Structural Information

Molecular Formula
C14H14O5
SMILES
CC(C)(C1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3)O
InChI
InChI=1S/C14H14O5/c1-14(2,17)11-5-8-10(18-11)6-9-7(13(8)16)3-4-12(15)19-9/h3-4,6,11,16-17H,5H2,1-2H3
InChIKey
WCBFKVBQHXJRCX-UHFFFAOYSA-N
Compound name
4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

262.08414 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09142 153.9
[M+Na]+ 285.07336 166.3
[M+NH4]+ 280.11796 161.3
[M+K]+ 301.04730 164.5
[M-H]- 261.07686 156.9
[M+Na-2H]- 283.05881 156.1
[M]+ 262.08359 156.5
[M]- 262.08469 156.5
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