CID 68229

Seselin

Structural Information

Molecular Formula
C14H12O3
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C
InChI
InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3
InChIKey
QUVCQYQEIOLHFZ-UHFFFAOYSA-N
Compound name
8,8-dimethylpyrano[2,3-f]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

153
Patents

228.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 145.7
[M+Na]+ 251.06786 157.1
[M-H]- 227.07136 153.5
[M+NH4]+ 246.11246 165.8
[M+K]+ 267.04180 156.1
[M+H-H2O]+ 211.07590 139.3
[M+HCOO]- 273.07684 165.8
[M+CH3COO]- 287.09249 160.3
[M+Na-2H]- 249.05331 157.1
[M]+ 228.07809 149.8
[M]- 228.07919 149.8
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