CID 44258729

8-c-methylgalangin

Structural Information

Molecular Formula
C16H12O5
SMILES
CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H12O5/c1-8-10(17)7-11(18)12-13(19)14(20)16(21-15(8)12)9-5-3-2-4-6-9/h2-7,17-18,20H,1H3
InChIKey
SZEGGRGYVVQDCY-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-8-methyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.06848 Da
Monoisotopic Mass

3.2
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

No patent data available for this compound.