CID 14524436

Ohobanin

Structural Information

Molecular Formula
C18H18O3
SMILES
CC1=CC(C(=O)C(=C1O)C(=O)/C=C/C2=CC=CC=C2)(C)C
InChI
InChI=1S/C18H18O3/c1-12-11-18(2,3)17(21)15(16(12)20)14(19)10-9-13-7-5-4-6-8-13/h4-11,20H,1-3H3/b10-9+
InChIKey
IOUXZJVNUQGFQK-MDZDMXLPSA-N
Compound name
3-hydroxy-4,6,6-trimethyl-2-[(E)-3-phenylprop-2-enoyl]cyclohexa-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12558 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13286 163.2
[M+Na]+ 305.11480 171.9
[M-H]- 281.11830 169.3
[M+NH4]+ 300.15940 180.9
[M+K]+ 321.08874 167.4
[M+H-H2O]+ 265.12284 157.0
[M+HCOO]- 327.12378 183.6
[M+CH3COO]- 341.13943 200.0
[M+Na-2H]- 303.10025 165.2
[M]+ 282.12503 164.0
[M]- 282.12613 164.0
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.