CID 24468

Brn 2586531

Structural Information

Molecular Formula
C16H18O3
SMILES
CCC(COC1=CC=C(C2=CC=CC=C21)C(=O)C)O
InChI
InChI=1S/C16H18O3/c1-3-12(18)10-19-16-9-8-13(11(2)17)14-6-4-5-7-15(14)16/h4-9,12,18H,3,10H2,1-2H3
InChIKey
LCFHKDXZVPUSKH-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxybutoxy)naphthalen-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.12558 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13286 159.1
[M+Na]+ 281.11480 165.9
[M-H]- 257.11830 162.1
[M+NH4]+ 276.15940 176.4
[M+K]+ 297.08874 162.8
[M+H-H2O]+ 241.12284 152.6
[M+HCOO]- 303.12378 178.5
[M+CH3COO]- 317.13943 196.6
[M+Na-2H]- 279.10025 162.5
[M]+ 258.12503 161.5
[M]- 258.12613 161.5
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.