CID 14412241

(s)-2,3-dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone

Structural Information

Molecular Formula
C11H10O3
SMILES
CC1CC(=O)C2=C(C1=O)C=CC=C2O
InChI
InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3
InChIKey
ALPCEXCHMFUSAN-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methyl-2,3-dihydronaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1973
Patents

190.06299 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 135.7
[M+Na]+ 213.05221 145.4
[M-H]- 189.05571 139.7
[M+NH4]+ 208.09681 156.4
[M+K]+ 229.02615 142.3
[M+H-H2O]+ 173.06025 130.7
[M+HCOO]- 235.06119 156.2
[M+CH3COO]- 249.07684 182.1
[M+Na-2H]- 211.03766 141.2
[M]+ 190.06244 135.0
[M]- 190.06354 135.0
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

patents stripe