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]+ 281.11723 161.9
[M+Na]+ 303.09917 169.4
[M-H]- 279.10267 170.1
[M+NH4]+ 298.14377 178.3
[M+K]+ 319.07311 166.1
[M+H-H2O]+ 263.10721 155.4
[M+HCOO]- 325.10815 178.4
[M+CH3COO]- 339.12380 173.7
[M+Na-2H]- 301.08462 166.9
[M]+ 280.10940 160.5
[M]- 280.11050 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.