CID 4060568

74693-74-6

Structural Information

Molecular Formula
C15H14O4
SMILES
CC(=C)C(CC1=C(C2=CC=CC=C2C(=O)C1=O)O)O
InChI
InChI=1S/C15H14O4/c1-8(2)12(16)7-11-13(17)9-5-3-4-6-10(9)14(18)15(11)19/h3-6,12,16-17H,1,7H2,2H3
InChIKey
IWIQPWTWDXFTKX-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 154.8
[M+Na]+ 281.07842 162.9
[M-H]- 257.08192 157.1
[M+NH4]+ 276.12302 171.7
[M+K]+ 297.05236 159.0
[M+H-H2O]+ 241.08646 149.4
[M+HCOO]- 303.08740 172.1
[M+CH3COO]- 317.10305 194.7
[M+Na-2H]- 279.06387 156.3
[M]+ 258.08865 154.6
[M]- 258.08975 154.6
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.