CID 6447016

1-naphthalenol, 1,2,3,4-tetrahydro-2-(1,3-benzodioxol-5-ylmethylene)-

Structural Information

Molecular Formula
C18H16O3
SMILES
C1C/C(=C\C2=CC3=C(C=C2)OCO3)/C(C4=CC=CC=C41)O
InChI
InChI=1S/C18H16O3/c19-18-14(7-6-13-3-1-2-4-15(13)18)9-12-5-8-16-17(10-12)21-11-20-16/h1-5,8-10,18-19H,6-7,11H2/b14-9+
InChIKey
KSWUDOJCFHYMNZ-NTEUORMPSA-N
Compound name
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10995 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.117226 161.9
[M+Na]+ 303.099168 169.4
[M-H]- 279.102674 170.1
[M+NH4]+ 298.143773 178.3
[M+K]+ 319.073108 166.1
[M+H-H2O]+ 263.107210 155.4
[M+HCOO]- 325.108151 178.4
[M+CH3COO]- 339.123801 173.7
[M+Na-2H]- 301.084616 166.9
[M]+ 280.10940142 160.5
[M]- 280.11049858 160.5
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.