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]+ 261.112136 154.4
[M+Na]+ 283.094078 164.7
[M-H]- 259.097584 158.8
[M+NH4]+ 278.138683 172.7
[M+K]+ 299.068018 161.9
[M+H-H2O]+ 243.102120 149.0
[M+HCOO]- 305.103061 174.0
[M+CH3COO]- 319.118711 199.5
[M+Na-2H]- 281.079526 156.2
[M]+ 260.10431142 158.2
[M]- 260.10540858 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.