CID 3477029

Refchem:685786

Structural Information

Molecular Formula
C10H10O4
SMILES
C1C(CC(=O)C2=C1C=C(C=C2O)O)O
InChI
InChI=1S/C10H10O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,7,11-13H,2,4H2
InChIKey
RTWVXIIKUFSDJB-UHFFFAOYSA-N
Compound name
3,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

98
Patents

194.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.0
[M+Na]+ 217.04712 145.8
[M-H]- 193.05062 138.2
[M+NH4]+ 212.09172 156.0
[M+K]+ 233.02106 142.4
[M+H-H2O]+ 177.05516 132.4
[M+HCOO]- 239.05610 154.7
[M+CH3COO]- 253.07175 177.3
[M+Na-2H]- 215.03257 142.0
[M]+ 194.05735 134.4
[M]- 194.05845 134.4
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

patents stripe