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

literature stripe

Patent stripe

patents stripe