CID 44259048

6-c-methylkaempferol

Structural Information

Molecular Formula
C16H12O6
SMILES
CC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C16H12O6/c1-7-10(18)6-11-12(13(7)19)14(20)15(21)16(22-11)8-2-4-9(17)5-3-8/h2-6,17-19,21H,1H3
InChIKey
NHMKZNNXBMLIHF-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

300.0634 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 164.4
[M+Na]+ 323.05262 175.7
[M-H]- 299.05612 169.6
[M+NH4]+ 318.09722 177.4
[M+K]+ 339.02656 172.3
[M+H-H2O]+ 283.06066 157.6
[M+HCOO]- 345.06160 182.0
[M+CH3COO]- 359.07725 197.9
[M+Na-2H]- 321.03807 168.7
[M]+ 300.06285 167.2
[M]- 300.06395 167.2
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