CID 5275544

7-hydroxy-3,6,9-trimethyl-5,6-dihydro-4h-phenalene-1,2-dione

Structural Information

Molecular Formula
C16H16O3
SMILES
CC1CCC2=C(C(=O)C(=O)C3=C2C1=C(C=C3C)O)C
InChI
InChI=1S/C16H16O3/c1-7-4-5-10-9(3)15(18)16(19)13-8(2)6-11(17)12(7)14(10)13/h6-7,17H,4-5H2,1-3H3
InChIKey
CVMGHDCHABTICD-UHFFFAOYSA-N
Compound name
7-hydroxy-3,6,9-trimethyl-5,6-dihydro-4H-phenalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.10995 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 155.5
[M+Na]+ 279.09917 165.8
[M-H]- 255.10267 159.8
[M+NH4]+ 274.14377 175.3
[M+K]+ 295.07311 161.5
[M+H-H2O]+ 239.10721 149.9
[M+HCOO]- 301.10815 172.3
[M+CH3COO]- 315.12380 200.5
[M+Na-2H]- 277.08462 158.7
[M]+ 256.10940 156.8
[M]- 256.11050 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.