CID 92201

Columbianetin

Structural Information

Molecular Formula
C14H14O4
SMILES
CC(C)([C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O
InChI
InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m0/s1
InChIKey
YRAQEMCYCSSHJG-NSHDSACASA-N
Compound name
(8S)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

150
Patents

246.0892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 150.5
[M+Na]+ 269.07842 163.6
[M+NH4]+ 264.12302 158.9
[M+K]+ 285.05236 160.7
[M-H]- 245.08192 154.5
[M+Na-2H]- 267.06387 154.0
[M]+ 246.08865 153.6
[M]- 246.08975 153.6
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