CID 139030

3-hydroxy-1h-phenalen-1-one

Structural Information

Molecular Formula
C13H8O2
SMILES
C1=CC2=C3C(=C1)C(=CC(=O)C3=CC=C2)O
InChI
InChI=1S/C13H8O2/c14-11-7-12(15)10-6-2-4-8-3-1-5-9(11)13(8)10/h1-7,14H
InChIKey
DXBYIIARRIMNFJ-UHFFFAOYSA-N
Compound name
3-hydroxyphenalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

40
Patents

196.05243 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05971 137.9
[M+Na]+ 219.04165 147.9
[M-H]- 195.04515 142.1
[M+NH4]+ 214.08625 159.3
[M+K]+ 235.01559 143.5
[M+H-H2O]+ 179.04969 132.1
[M+HCOO]- 241.05063 158.6
[M+CH3COO]- 255.06628 151.7
[M+Na-2H]- 217.02710 147.4
[M]+ 196.05188 138.7
[M]- 196.05298 138.7
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