CID 265890

Q 3 2-hydroxy-3-(2-hydroxy-2-methylpropyl)-1,4-naphthoquinone

Structural Information

Molecular Formula
C14H14O4
SMILES
CC(C)(CC1=C(C2=CC=CC=C2C(=O)C1=O)O)O
InChI
InChI=1S/C14H14O4/c1-14(2,18)7-10-11(15)8-5-3-4-6-9(8)12(16)13(10)17/h3-6,15,18H,7H2,1-2H3
InChIKey
KHMYOHWIYATDCU-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(2-hydroxy-2-methylpropyl)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0892 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 152.3
[M+Na]+ 269.07842 161.5
[M-H]- 245.08192 154.9
[M+NH4]+ 264.12302 170.1
[M+K]+ 285.05236 157.9
[M+H-H2O]+ 229.08646 147.4
[M+HCOO]- 291.08740 170.2
[M+CH3COO]- 305.10305 191.0
[M+Na-2H]- 267.06387 157.6
[M]+ 246.08865 153.3
[M]- 246.08975 153.3
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.