CID 165333

5-hydroxynaphthalene-1,8-carbolactone

Structural Information

Molecular Formula
C11H6O3
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)O3)O
InChI
InChI=1S/C11H6O3/c12-8-4-5-9-10-6(8)2-1-3-7(10)11(13)14-9/h1-5,12H
InChIKey
AHSFMNWXDFMUFF-UHFFFAOYSA-N
Compound name
9-hydroxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

186.0317 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03898 133.1
[M+Na]+ 209.02092 144.1
[M-H]- 185.02442 138.4
[M+NH4]+ 204.06552 155.6
[M+K]+ 224.99486 141.7
[M+H-H2O]+ 169.02896 128.6
[M+HCOO]- 231.02990 154.6
[M+CH3COO]- 245.04555 148.1
[M+Na-2H]- 207.00637 141.9
[M]+ 186.03115 136.2
[M]- 186.03225 136.2
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.