CID 6080924

77632-98-5

Structural Information

Molecular Formula
C17H14O4
SMILES
COC1=CC=CC=C1/C=C/C(=O)C2=C(C(=O)C=CC=C2)O
InChI
InChI=1S/C17H14O4/c1-21-16-9-5-2-6-12(16)10-11-14(18)13-7-3-4-8-15(19)17(13)20/h2-11H,1H3,(H,19,20)/b11-10+
InChIKey
KDSKWCHQBAORCF-ZHACJKMWSA-N
Compound name
2-hydroxy-3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 159.7
[M+Na]+ 305.07842 165.9
[M-H]- 281.08192 166.6
[M+NH4]+ 300.12302 174.0
[M+K]+ 321.05236 167.5
[M+H-H2O]+ 265.08646 154.1
[M+HCOO]- 327.08740 181.4
[M+CH3COO]- 341.10305 198.7
[M+Na-2H]- 303.06387 162.3
[M]+ 282.08865 159.0
[M]- 282.08975 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.