CID 264923

15298-01-8

Structural Information

Molecular Formula
C15H16O4
SMILES
CC(C)(CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)O
InChI
InChI=1S/C15H16O4/c1-15(2,19)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18/h3-6,16,19H,7-8H2,1-2H3
InChIKey
XKHIPCDZGJWMJE-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(3-hydroxy-3-methylbutyl)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

260.10486 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 157.0
[M+Na]+ 283.09408 165.7
[M-H]- 259.09758 159.4
[M+NH4]+ 278.13868 174.2
[M+K]+ 299.06802 161.9
[M+H-H2O]+ 243.10212 151.9
[M+HCOO]- 305.10306 174.5
[M+CH3COO]- 319.11871 194.0
[M+Na-2H]- 281.07953 161.7
[M]+ 260.10431 158.3
[M]- 260.10541 158.3
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.