CID 12312975

Morphenol

Structural Information

Molecular Formula
C14H8O2
SMILES
C1=CC2=C3C(=C1)OC4=C(C=CC(=C34)C=C2)O
InChI
InChI=1S/C14H8O2/c15-10-7-6-9-5-4-8-2-1-3-11-12(8)13(9)14(10)16-11/h1-7,15H
InChIKey
IJTHCTQNQZKJIY-UHFFFAOYSA-N
Compound name
15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

208.05243 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.059706 139.1
[M+Na]+ 231.041648 151.8
[M-H]- 207.045154 145.3
[M+NH4]+ 226.086253 162.1
[M+K]+ 247.015588 148.0
[M+H-H2O]+ 191.049690 133.8
[M+HCOO]- 253.050631 161.8
[M+CH3COO]- 267.066281 154.4
[M+Na-2H]- 229.027096 151.0
[M]+ 208.05188142 145.9
[M]- 208.05297858 145.9
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