CID 51859

3-(4-acetyl-1-naphthyloxy)-1,2-propanediol

Structural Information

Molecular Formula
C15H16O4
SMILES
CC(=O)C1=CC=C(C2=CC=CC=C21)OCC(CO)O
InChI
InChI=1S/C15H16O4/c1-10(17)12-6-7-15(19-9-11(18)8-16)14-5-3-2-4-13(12)14/h2-7,11,16,18H,8-9H2,1H3
InChIKey
BJALSSVHDGXABC-UHFFFAOYSA-N
Compound name
1-[4-(2,3-dihydroxypropoxy)naphthalen-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 157.9
[M+Na]+ 283.09408 169.8
[M+NH4]+ 278.13868 165.0
[M+K]+ 299.06802 164.4
[M-H]- 259.09758 158.7
[M+Na-2H]- 281.07953 162.4
[M]+ 260.10431 159.7
[M]- 260.10541 159.7
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.