CID 86205980

7-hydroxy-5-isopropyl-2-methoxy-3-methyl-1,4-naphthoquinone

Structural Information

Molecular Formula
C15H16O4
SMILES
CC1=C(C(=O)C2=C(C1=O)C(=CC(=C2)O)C(C)C)OC
InChI
InChI=1S/C15H16O4/c1-7(2)10-5-9(16)6-11-12(10)13(17)8(3)15(19-4)14(11)18/h5-7,16H,1-4H3
InChIKey
GMQGRIMALOVAPW-UHFFFAOYSA-N
Compound name
7-hydroxy-2-methoxy-3-methyl-5-propan-2-ylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 154.4
[M+Na]+ 283.09408 164.7
[M-H]- 259.09758 158.8
[M+NH4]+ 278.13868 172.7
[M+K]+ 299.06802 161.9
[M+H-H2O]+ 243.10212 149.0
[M+HCOO]- 305.10306 174.0
[M+CH3COO]- 319.11871 199.5
[M+Na-2H]- 281.07953 156.2
[M]+ 260.10431 158.2
[M]- 260.10541 158.2
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.