CID 821362

5,7-dihydroxy-2,2-dimethylchroman-4-one

Structural Information

Molecular Formula
C11H12O4
SMILES
CC1(CC(=O)C2=C(C=C(C=C2O1)O)O)C
InChI
InChI=1S/C11H12O4/c1-11(2)5-8(14)10-7(13)3-6(12)4-9(10)15-11/h3-4,12-13H,5H2,1-2H3
InChIKey
JFWGYKRUMPKNKF-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

63
Patents

208.07356 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 140.7
[M+Na]+ 231.062778 150.8
[M-H]- 207.066284 144.3
[M+NH4]+ 226.107383 160.8
[M+K]+ 247.036718 149.2
[M+H-H2O]+ 191.070820 136.3
[M+HCOO]- 253.071761 158.7
[M+CH3COO]- 267.087411 182.3
[M+Na-2H]- 229.048226 147.9
[M]+ 208.07301142 141.4
[M]- 208.07410858 141.4
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