CID 9965615

6-methylapigenin

Structural Information

Molecular Formula
C16H12O5
SMILES
CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C16H12O5/c1-8-11(18)6-14-15(16(8)20)12(19)7-13(21-14)9-2-4-10(17)5-3-9/h2-7,17-18,20H,1H3
InChIKey
ZLGRXDWWYMFIGI-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

32
Patents

284.06848 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07576 160.8
[M+Na]+ 307.05770 172.0
[M-H]- 283.06120 167.0
[M+NH4]+ 302.10230 175.0
[M+K]+ 323.03164 168.5
[M+H-H2O]+ 267.06574 153.9
[M+HCOO]- 329.06668 179.9
[M+CH3COO]- 343.08233 196.2
[M+Na-2H]- 305.04315 166.2
[M]+ 284.06793 163.5
[M]- 284.06903 163.5
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