CID 122206711

8-hydroxy-3,3,7-trimethyl-cyclopenta[a]naphthalene-2,5-dione

Structural Information

Molecular Formula
C16H14O3
SMILES
CC1=CC2=C(C=C1O)C3=CC(=O)C(C3=CC2=O)(C)C
InChI
InChI=1S/C16H14O3/c1-8-4-11-9(5-13(8)17)10-6-15(19)16(2,3)12(10)7-14(11)18/h4-7,17H,1-3H3
InChIKey
PYDZHMYLTHZTTM-UHFFFAOYSA-N
Compound name
8-hydroxy-3,3,7-trimethylcyclopenta[a]naphthalene-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 153.8
[M+Na]+ 277.08352 166.4
[M-H]- 253.08702 159.6
[M+NH4]+ 272.12812 177.3
[M+K]+ 293.05746 161.3
[M+H-H2O]+ 237.09156 149.4
[M+HCOO]- 299.09250 174.4
[M+CH3COO]- 313.10815 196.5
[M+Na-2H]- 275.06897 157.9
[M]+ 254.09375 156.8
[M]- 254.09485 156.8
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.