CID 71451578

Siamchromones e

Structural Information

Molecular Formula
C15H14O4
SMILES
C/C=C/C1=CC(=O)C2=C(C=C(C=C2O1)O)CC(=O)C
InChI
InChI=1S/C15H14O4/c1-3-4-12-8-13(18)15-10(5-9(2)16)6-11(17)7-14(15)19-12/h3-4,6-8,17H,5H2,1-2H3/b4-3+
InChIKey
BJRWVWBCAXJUDU-ONEGZZNKSA-N
Compound name
7-hydroxy-5-(2-oxopropyl)-2-[(E)-prop-1-enyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

258.0892 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 154.7
[M+Na]+ 281.07842 164.8
[M-H]- 257.08192 159.4
[M+NH4]+ 276.12302 171.4
[M+K]+ 297.05236 161.9
[M+H-H2O]+ 241.08646 148.6
[M+HCOO]- 303.08740 175.1
[M+CH3COO]- 317.10305 195.3
[M+Na-2H]- 279.06387 159.5
[M]+ 258.08865 158.9
[M]- 258.08975 158.9
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