CID 100923872

Ywa1

Structural Information

Molecular Formula
C14H12O6
SMILES
CC1(CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)O)O)O)O
InChI
InChI=1S/C14H12O6/c1-14(19)5-9(17)12-10(20-14)3-6-2-7(15)4-8(16)11(6)13(12)18/h2-4,15-16,18-19H,5H2,1H3
InChIKey
RTYDQIKVNMHQMZ-UHFFFAOYSA-N
Compound name
2,5,6,8-tetrahydroxy-2-methyl-3H-benzo[g]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

276.0634 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07068 157.0
[M+Na]+ 299.05262 167.5
[M-H]- 275.05612 159.1
[M+NH4]+ 294.09722 173.9
[M+K]+ 315.02656 164.7
[M+H-H2O]+ 259.06066 151.9
[M+HCOO]- 321.06160 170.7
[M+CH3COO]- 335.07725 192.5
[M+Na-2H]- 297.03807 163.6
[M]+ 276.06285 157.8
[M]- 276.06395 157.8
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